2024


1. Zenghui Lao#, Yiming Tang#, Xuewei Dong, Yuan Tan, Xuhua Li, Xianshi Liu, Le Li, Cong Guo*, and Guanghong Wei*
   Elucidating the Reversible and Irreversible Self-assembly Mechanisms of Low-Complexity Aromatic-Rich Kinked Peptides and Steric Zipper Peptides.
   Nanoscale 2024, 16(8), 4025-4038. DOI: 10.1039/D3NR05130G pdf
   


2. Yiming Tang*, Zhongyuan Yang, Yifei Yao, Yun Zhou, Yuan Tan, Zichao Wang, Tong Pan, Rui Xiong, Junli Sun, Guanghong Wei*
   Recent advances in protein conformation sampling by combining machine learning with molecular simulation.
   Chinese Physics B, 2024, 33(3), 030701. DOI: 10.1088/1674-1056/ad1a92 pdf
   


3. Ipsita Sahu, Yiming Tang, Zichao Wang, Souvik Naskar, Thangavel Vijayakanth, Vivek Vishwanath Adole, Guanghong Wei*, Priyadarshi Chakraborty*
   Bioinspired functional self-healing hydrogels from a minimalistic dipeptide building block.
   Journal of Materials Chemistry A, 2024, 12(7), 4169–4183. DOI: 10.1039/D3TA06663K pdf
   


4. Yujie Chen, Chendi Zhan, Xuhua Li, Tong Pan, Yifei Yao, Yuan Tan, and Guanghong Wei*
   Five similar anthocyanidin molecules display distinct disruptive effects and mechanisms of action on Aβ1-42 protofibril: a molecular dynamic simulation study.
   International Journal of Biological Macromolecules, 2024, 256: 128467 pdf
   


                                                          2023


5. Qian Liu, Le Li, Yawei Yu, and Guanghong Wei*.
   Elucidating the Mechanisms of R248Q Mutation-Enhanced p53 Aggregation and Its Inhibition by Resveratrol.
   Journal of Physical Chemistry B,2023, 127(36): 7708–7720 pdf
   


6. Fangying Li#, Yujie Chen#, Yiming Tang, Xianshi Liu, and Guanghong Wei*.
   Dissecting the effect of ALS mutation G335D on the early aggregation of the TDP-43 amyloidogenic core peptide: helix-to-β-sheet transition and conformational shift.
   Journal of Chemical Information and Modeling, 2023, 63(11): 3579–3590 pdf
   


7. 唐一鸣，姚逸飞，杨中元，周运，王子超，韦广红*。
   神经退行性疾病相关蛋白病理性聚集和液液相分离研究进展。
   合成生物学, 2023，4(3)：590-610 pdf
   


8. Yun Zhou+, Yifei Yao+, Zhongyuan Yang, Yiming Tang and Guanghong Wei*.
   Naphthoquinone-Dopamine Hybrid Disrupts α-Synuclein Fibril by Its Intramolecular Synergistic Interactions with the Fibril and Displays a Better Effect on Fibril Disruption.
   Physical Chemistry Chemical Physics, 2023, 25(20): 14471–14483 pdf
   


9. Yuan Tan, Yujie Chen*, Xianshi Liu, Yiming Tang, Zenghui Lao, and Guanghong Wei*
   Dissecting how ALS-associated D290V mutation enhances pathogenic aggregation of hnRNPA2(286-291) peptides: dynamics and conformational ensembles.
   International Journal of Biological Macromolecules, 2023, 241: 124659 pdf
   


10. Xianshi Liu, Xuhua Li*, Qin Qiao, Fangying Li, and Guanghong Wei*.
    ALS-linked A315T and A315E mutations enhance β-barrel formation of TDP-43(307-319) hexamer: a REST2 simulation study.
    ACS Chemical Neuroscience, 2023, 14(7): 1310–1320 pdf
    Selected as Cover Art of ACS Chemical Neuroscience. find it here.


11. Jiyuan Zeng, Yiming Tang, Xuewei Dong, Fangying Li, Guanghong Wei*.
    Influence of ALS-linked M337V mutation on the conformational ensembles of TDP-43(321-340) peptide monomer and dimer.
    PROTEINS: Structure, Function, and Bioinformatics, 2023 (in press) (pdf)


12. Zhongyuan Yang, Yifei Yao, Yun Zhou, XuhuaLi, Yiming Tang*, and Guanghong Wei*
    EGCG attenuates α-synuclein protofibril-membrane interactions and disrupts the protofibril.
    International Journal of Biological Macromolecules, 2023, 230: 123194 (pdf)
    


                                                          2022


13. Fangying Li, Yujie Chen*, Xianshi Liu, Yiming Tang, Xuewei Dong, Guanghong Wei*.
    Atomistic Insights into A315E Mutation-enhanced Pathogenicity of TDP-43 Core Fibrils.
    ACS Chemical Neuroscience, 2022, 13(18): 2743–2754. (pdf).


14. Yifei Yao#, Yiming Tang#, Yun Zhou, Zhongyuan Yang, and Guanghong Wei*
    Baicalein exhibits differential effects and mechanisms towards disruption of α-synuclein fibrils with different polymorphs.
    International Journal of Biological Macromolecules, 2022, 220, 316-325 (pdf)


15. Rajkumar Misra, Yiming Tang, Yujie Chen, Priyadarshi Chakraborty, Francesca Netti, Thangavel Vijayakanth, Linda J. W. Shimon, Guanghong Wei*, Lihi Adler-Abramovich*
    Exploiting Minimalistic Backbone Engineered γ-Phenylalanine for the Formation of Supramolecular Co-Polymer.
    Macromolecular Rapid Communications, 2022, 2200223 (pdf)


16. Zenghui Lao, Xuewei Dong, Xianshi Liu, Fangying Li, Yujie Chen, Yiming Tang, Guanghong Wei*.
    Insights into the Atomistic Mechanisms of Phosphorylation in Disrupting Liquid–Liquid Phase Separation and Aggregation of the FUS Low-Complexity Domain.
    Journal of Chemical Information and Modeling, 2022, 62(13): 3227-3238 (pdf)


17. Xianshi Liu, Zenghui Lao, Xuhua Li, Xuewei Dong, Guanghong Wei*.
    ALS-associated A315E and A315pT variants exhibit distinct mechanisms in inducing irreversible aggregation of TDP-43 312-317 peptide.
    Physical Chemistry Chemical Physics, 2022, 24(26), 16263-16273 (pdf)


18. Le Li, Xuewei Dong, Yiming Tang, Zenghui Lao, Xuhua Li, Jiangtao Lei, Guanghong Wei*.
    Deciphering the mechanisms of HPV E6 mutations in the destabilization of E6/E6AP/p53 complex.
    Biophysical Journal, 2022, 121(9): 1704-1714 (pdf)


19. Yawei Yu, Xuewei Dong, Yiming Tang, Le Li and Guanghong Wei*.
    Mechanistic insight into the destabilization of p53TD tetramer by cancer-related R337H mutation: a molecular dynamic study.
    Physical Chemistry Chemical Physics, 2022, 24(8): 5199-5210 (pdf)
    


                                                          2021


20. Wei Ji*, Yiming Tang, Pandeeswar Makam, Yifei Yao, Ranran Jiao, Kaiyong Cai, Guanghong Wei*, Ehud Gazit*.
    Expanding the Structural Diversity and Functional Scope of Diphenylalanine-Based Peptide Architectures by Hierarchical Coassembly.
    Journal of the American Chemical Society, 2021, 143 (42): 17633-17645 (pdf)


21. Yiming Tang, Santu Bera, Yifei Yao, Jiyuan Zeng, Zenghui Lao, Xuewei Dong, Ehud Gazit*, Guanghong Wei*.
    Prediction and characterization of liquid-liquid phase separation of minimalistic peptides.
    Cell Reports Physical Science, 2021, 2 (9): 100579 (pdf)


22. Yujie Chen, Xuhua Li, Chendi Zhan, Zenghui Lao, Fangying Li, Xuewei Dong*, Guanghong Wei*.
    A Comprehensive Insight into the Mechanisms of Dopamine in Disrupting Aβ Protofibrils and Inhibiting Aβ Aggregation.
    ACS Chemical Neuroscience, 2021, 12 (21): 4007–4019. (pdf)
    Selected as Cover Article of ACS Chemical Neuroscience (volume 12, Issue 21). find it here.


23. Xuewei Dong, Ruxi Qi, Qin Qiao, Xuhua Li, Fangying Li, Jiaqian Wan, Qingwen Zhang, Guanghong Wei*.
    Heparin remodels the microtubule-binding repeat R3 of Tau protein towards fibril-prone conformations
    Physical Chemistry Chemical Physics, 2021, 23 (36): 20406-20418. (pdf)


24. Fangying Li, Chendi Zhan, Xuewei Dong, Guanghong Wei*.
    Molecular mechanisms of resveratrol and EGCG in the inhibition of Aβ 42 aggregation and disruption of Aβ 42 protofibril: similarities and differences.
    Physical Chemistry Chemical Physics, 2021, 23 (34): 18843-18854. (pdf)


25. Yiming Tang, Yifei Yao and Guanghong Wei*.
    Unraveling the allosteric mechanism of four cancer-related mutations in the disruption of p53-DNA interaction.
    Journal of Physical Chemistry B, 2021, 125 (36): 10138–10148 (pdf)
    Selected as Cover Article of Journal of Physical Chemistry B (volume 125, Issue 36)， find it here.


26. Yehong Gong, Chendi Zhan, Yu Zou, Zhenyu Qian, Guanghong Wei, Qingwen Zhang.
    Serotonin and Melatonin Show Different Modes of Action on Aβ42 Protofibril Destabilization.
    ACS Chemical Neuroscience, 2021, 12 (4): 799-809. (pdf)
    


27. Chendi Zhan, Zenghui Lao, Yiming Tang, Qin Qiao and Guanghong Wei*.
    Natural stereoisomeric flavonoids exhibit different disruptive effects and mechanism of action on Aβ42 Protofibril.
    Chemical Communications (Camb), 2021, 57(35)：4267-4270 (pdf)


28. Jiaqian Wan, Yehong Gong, Zhengdong Xu, Xuewei Dong, Guanghong Wei, Qingwen Zhang.
    Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine.
    Biophysical chemistry, 2021, 271,106541. (pdf)
    


29. Santu Bera, Xuewei Dong, Bankala Krishnarjuna, Shannon A Raab, David A Hales, Wei Ji, Yiming Tang, Linda JW Shimon, Ayyalusamy Ramamoorthy, David E Clemmer, Guanghong Wei, Ehud Gazit*.
    Solid-state packing dictates the unexpected solubility of aromatic peptides.
    Cell Reports Physical Science, 2021, 2(4): 100391 (pdf)


30. Xuewei Dong, Santu Bera, Qin Qiao, Yiming Tang, Zenghui Lao, Yin Luo, Ehud Gazit* and Guanghong Wei*.
    Liquid-liquid Phase Separation of Tau Protein is Encoded at the Monomeric Level.
    Journal of Physical Chemistry Letters, 2021, 12(10): 2576–2586 (pdf)


31. Xuhua Li, Zenghui Lao, Yu Zou, Xuewei Dong, Le Li and Guanghong Wei*.
    Mechanistic insights into the co-aggregation of Aβ and hIAPP: an all-atom molecular dynamic study.
    Journal of Physical Chemistry B, 2021, 125: 2050–2060. (pdf)


32. Phuong H Nguyen, Ayyalusamy Ramamoorthy, Bikash R Sahoo, Jie Zheng, Peter Faller, John E Straub, Laura Dominguez, Joan-Emma Shea, Nikolay V Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo, Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James McCarty, Mai Suan Li, Carol Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxing Chen, Brianna Hnath, Birgit Strodel, Rakez Kayed, Sylvain Lesné, Guanghong Wei, Fabio Sterpone, Andrew J Doig, Philippe Derreumaux*.
    Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis.
    Chemical Reviews,2021, 121(4): 2545–2647. (pdf)


33. Xuewei Dong+, Yiming Tang+, Chendi Zhan, and Guanghong Wei*.
    Green tea extract EGCG plays a dual role in Aβ42 protofibril disruption and membrane protection: a molecular dynamic study.
    Chemistry and Physics of Lipids, 2021, 234: 105024. (pdf)
    


                                   2020


34. Yifei Yao, Yiming Tang, and Guanghong Wei*.
    Epigallocatechin Gallate destabilizes α-synuclein fibril by disrupting the E46–K80 salt-bridge and inter-protofibril interface.
    ACS Chemical Neuroscience, 2020, 11 (24): 4351–4361. DOI: 10.1021/acschemneuro.0c00598. (pdf)
    


35. Yujie Chen, Guanghong Wei*, Jun Zhao, Ruth Nussinov, and Buyong Ma*.
    Computational Investigation of Gantenerumab and Crenezumab’s Recognition of Aβ Fibrils in Alzheimer's Disease Brain Tissue.
    ACS Chemical Neuroscience, 11(20): 3233-3244 (2020). DOI: 10.1021/acschemneuro.0c00364. (pdf)
    


36. Priyadarshi Chakraborty, Yiming Tang, Tom Guterman, Zohar A. Arnon, Yifei Yao, Guanghong Wei* and Ehud Gazit*.
    Co-assembly between Fmoc Diphenylalanine and Diphenylalanine within a 3D Fibrous Viscous Network Confers Atypical Curvature and Branching.
    Angewandte Chemie International Edition, 59 (52): 23731-23739 (2020). DOI: 10.1002/anie.202009488. (pdf)


37. Yiming Tang（唐一鸣）, Yifei Yao（姚逸飞） and Guang-Hong Wei (韦广红)*.
    Structural and Dynamical Mechanisms of a Naturally Occurring Variant of the Human Prion Protein in Preventing Prion Conversion.
    Chinese Physics B, 29(10): 108710 (2020) (pdf)


38. Kai Tao*#，Yiming Tang# (共同一作), Sigal Rencus-Lazar, Yifei Yao, Bin Xue, Sharon Gilead, Guanghong Wei* and Ehud Gazit*.
    Bioinspired supramolecular packing enables high thermo-sustainability.
    Angewandte Chemie International Edition, 59: 19037-19041 (2020). DOI: 10.1002/anie.202008702. (pdf)


39. Chendi Zhan, Yujie Chen, Yiming Tang, and Guanghong Wei*.
    Green tea extracts EGCG and EGC display distinct mechanisms in disrupting Aβ42 protofibril.
    ACS Chemical Neuroscience, 11(12): 1841-1851 (2020). DOI: 10.1021/acschemneuro.0c00277. (pdf)


40. Le Li, Xuhua Li, Yiming Tang, Zenghui Lao, Jiangtao Lei and Guanghong Wei*.
    Common cancer mutations R175H and R273H drive p53 DNA-binding domain towards aggregation-prone conformations.
    Physical Chemistry Chemical Physics, 22(17), 9225-9232 (2020). DOI: 10.1039/C9CP06671C. (pdf)


41. Yiming Tang, Yifei Yao, and Guanghong Wei*.
    Expanding the structural diversity of peptide assemblies by coassembling dipeptides with diphenylalanine.
    Nanoscale, 12(5): 3038-3049 (2020). DOI: 10.1039/C9NR09317F. (pdf)


42. Cuiqin Bai, Zenghui Lao, Yujie Chen, Yiming Tang, and Guanghong Wei*.
    Pristine and hydroxylated fullerenes prevent the aggregation of human islet amyloid polypeptide and display different inhibitory mechanisms.
    Frontiers in Chemistry, 8, 51 (2020). DOI:10.3389/fchem.2020.00051. (pdf)


43. Priyadarshi Chakraborty, Yiming Tang, Tomoya Yamamoto, Yifei Yao, Tom Guterman, Shai Zilberzwige‐Tal, Nofar Adadi, Wei Ji, Tal Dvir, Ayyalusamy Ramamoorthy, Guanghong Wei* and Ehud Gazit*.
    Unusual two-step assembly of a minimalistic dipeptide-based functional hypergelator.
    Advanced Materials, 32(9): 1906043 (2020). DOI: 10.1002/adma.201906043. (pdf)


                                   2019


44. Vasantha Basavalingappa, Santu Bera, Bin Xue, Ido Azuri, Yiming Tang, Kai Tao, Linda J.W. Shimon, Michael R. Sawaya, Sofiya Kolusheva, David S. Eisenberg, Leeor Kronik, Yi Cao, Guanghong Wei and Ehud Gazit*.
    Mechanically rigid supramolecular assemblies formed from an Fmoc-guanine conjugated peptide nucleic acid.
    Nature Communications, 10(1): 5256 (2019). doi: 10.1038/s41467-019-13250-x. (pdf)


45. Zenghui Lao, Yujie Chen, Yiming Tang and Guanghong Wei.
    Molecular Dynamics Simulations Reveal the Inhibitory Mechanism of Dopamine against hIAPP Aggregation and its Destabilization effect on hIAPP Protofibrils.
    ACS Chemical Neuroscience, 10(9): 3911-4182 (2019). doi: 10.1021/acschemneuro.9b00393.
    Selected as Cover Article of ACS Chemical Neuroscience (volume 10, Issue 9), Find it here.


46. Qin Qiao*, Guanghong Wei, Demin Yao and Zhijian Song.
    Formation of α-helical and β-sheet structures in membrane-bound human IAPP monomer and the resulting membrane deformation.
    Physical Chemistry Chemical Physics, 21(36), 20239-2025 (2019). doi: 10.1039/c9cp03151k. (pdf)


47. Xuhua Li, Jiangtao Lei, Ruxi Qi, Luogang Xie, and Guanghong Wei.
    Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ16-22 fibril: An all-atom simulation study.
    Physical Chemistry Chemical Physics, 2019, 21(28), 15686-15694. doi: 10.1039/C9CP02561H. (pdf)


48. Vasantha Basavalingappa, Tom Guterman, Yiming Tang, Sivan Nir, Jiangtao Lei, Priyadarshi Chakraborty, Lee Schnaider, Meital Reches, Guanghong Wei, Ehud Gazit.
    Expanding the Functional Scope of the Fmoc-diphenylalanine Hydrogelator by Introducing a Rigidifying and Chemically Active Urea Backbone Modification.
    Advanced Science, 6: 201900218 (2019). doi:10.1002/advs.201900218. (pdf)


49. Yibo Jin, Yunxiang Sun, Yujie Chen, Jiangtao Lei, Guanghong Wei .
    Molecular dynamics simulations reveal the mechanism of graphene oxide nanosheet towards the inhibition of Aβ1-42 peptide aggregation.
    Physical Chemistry Chemical Physics, 21(21): 10981-10991 (2019). doi: 10.1039/C9CP01803D. (pdf)
    Selected as 2019 PCCP HOT Article, and FREE to access now! Find it here:


50. Santu Bera, Sudipta Mondal, Yiming Tang, Guy Jacoby, Elad Arad, Tom Guterman, Raz Jelinek, Roy Beck, Guanghong Wei, and Ehud Gazit.
    Deciphering the Rules for Amino Acid Co-Assembly Based on Interlayer Distances.
    ACS Nano, 13(2): 1703-1712 (2019). doi: 10.1021/acsnano.8b07775. (pdf)


51. Cuiqin Bai, Dongdong Lin, Yuxiang Mo, Jiangtao Lei, Yunxiang Sun, Luogang Xie, Xinju Yang, and Guanghong Wei.
    Influences of fullerenol on hIAPP aggregation: amyloid inhibition and mechanistic aspects.
    Physical Chemistry Chemical Physics, 21(7): 4022-4031 (2019). doi: 10.1039/C8CP07501H. (pdf)


52. Jiangtao Lei, Ruxi Qi, Yegen Tang, Wenning Wang, Guanghong Wei, Ruth Nussinov, and Buyong Ma.
    Conformational stability and dynamics of the cancer-associated isoform Δ133p53β are modulated by p53 peptides and p53-specific DNA.
    FASEB Journal,33(3): 4225-4235 (2019). doi: doi: 10.1096/fj.201801973R (pdf)


53. Yu Zou, Zhenyu Qian, Yujie Chen, Hongsheng Qian, Guanghong Wei, and Qingwen Zhang.
    Norepinephrine Inhibits Alzheimer's Amyloid-β Peptide Aggregation and Destabilizes Amyloid-β Protofibrils: A Molecular Dynamics Simulation Study.
    ACS Chemical Neuroscience, 10(3):1585-1594 (2019). doi: 10.1021/acschemneuro.8b00537 (pdf)


                                   2018


54. Yuxiang Mo, Sayanti Brahmachari, Jiangtao Lei, Sharon Gilead, Yiming Tang, Ehud Gazit, and Guanghong Wei.
    The inhibitory effect of hydroxylated carbon nanotubes on the aggregation of human islet amyloid polypeptide revealed by a combined computational and experimental study.
    ACS Chemical Neuroscience, 9(11):2741-2752(2018). doi: 10.1021/acschemneuro.8b00166 (pdf)


55. Hongsheng Qian, Yu Zou, Yiming Tang, Yehong Gong, Zhenyu Qian, Guanghong Wei,and Qingwen Zhang.
    Proline hydroxylation at different sites in hypoxia-inducible factor 1α modulates its interactions with von Hippel–Lindau tumor suppressor protein.
    Physical Chemistry Chemical Physics, 20(27):18756-18765 (2018). doi: 10.1039/C8CP01964A. (pdf)


56. Yibo Jin, Yunxiang Sun, Jiangtao Lei, Guanghong Wei.
    Dihydrochalcone molecules destabilize Alzheimer's amyloid-β protofibrils through binding to the protofibril cavity.
    Physical Chemistry Chemical Physics, 20(25):17208-17217 (2018). (pdf)


57. Ruxi Qi, Guanghong Wei, Buyong Ma and Ruth Nussinov.
    Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example.
    Methods in Molecular Biology, 1777:101-119 (2018) (pdf)


58. Xuhua Li, Xuewei Dong, Guanghong Wei, Martin Margittai, Ruth Nussinov and Buyong Ma. The distinct structural preferences of Tau protein repeat domains.
    Chem Communications, 54(45):5700-5703. (pdf)


59. Yujie Chen, Zihan Chen, Yunxiang Sun, Jiangtao Lei and Guanghong Wei.
    Mechanistic Insights into the Inhibition and Size effects of Graphene Oxide Nanosheets on the Aggregation of an Amyloid‐β Peptide Fragment.
    Nanoscale, 10(19): 8989-8997 (2018) (pdf)


60. Noam Brown, Jiangtao Lei, Chendi Zhan, Linda J. W. Shimon, Lihi Adler-Abramovich, Guanghong Wei, and Ehud Gazit.
    Structural Polymorphism in a Self-Assembled Tri-Aromatic Peptide System.
    ACS Nano, 12(4): 3253-3262 (2018) (pdf)


61. Xuewei Dong, Qin Qiao, Zhenyu Qian and Guanghong Wei.
    Recent computational studies of membrane interaction and disruption of human islet amyloid polypeptide: Monomers, oligomers and protofibrils.
    Biochimica et Biophysica Acta (BBA) - Biomembranes, 1860(9): 1826-1839 (2018). doi: 10.1016/j.bbamem.2018.03.006. (pdf)


62. Zhenyu Qian, Yu Zou, Qingwen Zhang, Peijie Chen, Buyong Ma, Guanghong Wei and Ruth Nussinov.
    Atomistic-level study of the interactions between hIAPP protofibrils and membranes: Influence of pH and lipid composition.
    Biochimica et Biophysica Acta (BBA) - Biomembranes, 1860(9): 1818-1825 (2018). doi: 10.1016/j.bbamem.2018.02.005. (pdf)


                                   2017


63. Xuewei Dong, Yunxiang Sun, Guanghong Wei, Ruth Nussinov and Buyong Ma.
    Binding of protofibrillar Aβ trimers to lipid bilayer surface enhances Aβ structural stability and causes membrane thinning.
    Physical Chemistry Chemical Physics, 19(40): 27556-569 (2017) (pdf)


64. Yu Zou, Zhenyu Qian, Yunxiang Sun, Guanghong Wei and Qingwen Zhang.
    Orcein-Related Small Molecule O4 Destabilizes hIAPP Protofibrils by Interacting Mostly with the Amyloidogenic Core Region.
    Journal of Physical Chemistry B, 121(39): 9203-12 (2017) (pdf)


65. Jiangtao Lei, Ruxi Qi, Luogang Xie, Wenhui Xi and Guanghong Wei.
    Inhibitory effect of hydrophobic fullerenes on the β-sheet-rich oligomers of a hydrophilic GNNQQNY peptide revealed by atomistic simulations.
    RSC Advances, 7(23): 13947-13956 (2017) (pdf)


66. Ruxi Qi, Guanghong Wei, Ruth Nussinov and Buyong Ma.
    Exploring the Aggregation Mechanism of Intrinsically Disordered Tau Protein;
    In "Biophysics And Biochemistry Of Protein Aggregation: Experimental And Theoretical Studies On Folding, Misfolding, And Self-assembly Of Amyloidogenic Peptides". Editors: Huan-xiang Zhou and Jian-min Yuan;
    World Scientific Lecture and Course Notes in Chemistry; World Scientific Publishing: Singapore, Vol 9. Pub. date: August 2, 2017.


                                   2016


67. Cong Guo, Zohar A. Arnon, Ruxi Qi, Qingwen Zhang, Lihi Adler-Abramovich, Ehud Gazit, and Guanghong Wei.
    Expanding the Nanoarchitectural Diversity Through Aromatic Di- and Tri-Peptide Coassembly: Nanostructures and Molecular Mechanisms.
    ACS Nano, 10(9): 8316-24 (2016) (pdf)


68. Yuxiang Mo, Jiangtao Lei, Yunxiang Sun, Qingwen Zhang and Guanghong Wei.
    Conformational Ensemble of hIAPP Dimer: Insight into the Molecular Mechanism by which a Green Tea Extract inhibits hIAPP Aggregation.
    Scientific Reports, 6: 33076 (2016) (pdf)


69. Ying Li, Zhenyu Qian, Li Ma, Shuxin Hu, Daguan Nong, Chunhua Xu, Fangfu Ye, Ying Lu, Guanghong Wei, and Ming Li.
    Single Molecule Visualization of Dynamic Transitions of Pore-Forming Peptides Among Multiple Transmembrane Positions.
    Nature Communications, 7: 12906 (2016) (pdf)


70. Qin Qiao, Ruxi Qi, Guanghong Wei and Xuhui Huang.
    Dynamics of the Conformational Transitions during the Dimerization of an Intrinsically Disordered Peptide: a Case Study on the Human Islet Amyloid Polypeptide Fragment.
    Physical Chemistry Chemical Physics, 18(43): 29892-904 (2016) (pdf)


71. Chendi Zhan, Ruxi Qi, Guanghong Wei, Emine Guven-Maiorov, Ruth Nussinov, and Buyong Ma.
    Domain Mutant L252P (L265P) Allosterically Tilts the Landscape toward Homodimerization.
    Protein Engineering Design and Selection (PEDS), 29(9): 347-54 (2016) (pdf)


72. Dongdong Lin, Ruxi Qi, Shujie Li, Ruoyu He, Pei Li, Guanghong Wei, and Xinju Yang.
    Interaction Dynamics in Inhibiting the Aggregation of Aβ Peptides by SWCNTs: A Combined Experimental and Coarse-Grained Molecular Dynamic Simulation Study.
    ACS Chemical Neuroscience, 7(9): 1232-40 (2016) (pdf)


73. Guanghong Wei, Wenhui Xi, Ruth Nussinov, and Buyong Ma.
    Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell.
    Chemical Reviews, 116(11): 6516-6551 (2016) (pdf)


74. Yunxiang Sun, Zhenyu Qian and Guanghong Wei.
    The Inhibitory Mechanism of a Fullerene Derivative against Amyloid-β peptide aggregation: an Atomistic Simulation Study.
    Physical Chemistry Chemical Physics, 18(18): 12582-91 (2016) (pdf)


75. Lin Niu, Lei Liu, Wenhui Xi, Qiusen Han, Qiang Li, Yue Yu, Qunxing Huang, Fuyang Qu, Meng Xu, Yibao Li, Huiwen Du, Rong Yang, Jacob Cramer, Kurt V. Gothelf, Mingdong Dong, Flemming Besenbacher, Qingdao Zeng, Chen Wang, Guanghong Wei, and Yanlian Yang.
    Synergistic Inhibitory Effect of Peptide–Organic Coassemblies on Amyloid Aggregation.
    ACS Nano, 10(4): 4143-53 (2016) (pdf)


76. William M. Hewitt, George T. Lountos, Katherine Zlotkowski, Samuel D. Dahlhauser, Lindsey B. Saunders, Danielle Needle, Joseph E. Tropea, Chendi Zhan, Guanghong Wei, Buyong Ma, Ruth Nussinov, David S. Waugh, John S. Schneekloth, Jr.
    Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
    Angewandte Chemie International Edition (Communication) , 55(19): 5703-7 (2016) (pdf)


77. Jiangtao Lei, Ruxi Qi, Guanghong Wei, Ruth Nussinov and Buyong Ma.
    Self-aggregation and coaggregation of p53 core fragment with its aggregation Gatekeeper variant.
    Physical Chemistry Chemical Physics, 18(11): 8098-107 (2016) (pdf)


78. Wen-Hui Xi (郗文辉) and Guang-Hong Wei (韦广红).
    Amyloid-β peptide aggregation and the influence of carbon nanoparticles.
    Chinese Physics B, 25(1): 018704 (2016) (pdf)


                                   2015


79. Yunxiang Sun, Zhenyu Qian, Cong Guo, and Guanghong Wei.
    Amphiphilic peptides A6K and V6K display distinct oligomeric structures and self-assembly dynamics: a combined all-atom and coarse-grained simulation study.
    Biomacromolecules, 16: 2940-2949 (2015) (pdf)


80. Ruxi Qi, Yin Luo, Guanghong Wei, Ruth Nussinov, Buyong Ma.
    Aβ “Stretching-and-Packing” Cross-seeding Mechanism Can Trigger Tau Protein Aggregation.
    Journal of Physical Chemistry Letters, 6:3276-3282 (2015) (pdf)


81. Annalisa Pastore and Guanghong Wei.
    Editorial overview: Folding and binding: Old concepts, new ideas, novel insights.
    Current Opinion in Structural Biology, 30:iv–vi (2015) (pdf)


82. Zhenyu Qian, Yan Jia, and Guanghong Wei.
    Binding Orientations and Lipid Interactions of Human Amylin at Zwitterionic and Anionic Lipid Bilayers.
    Journal of Diabetes Research, 2015: 392978 (2015) (pdf)


83. Bin Dai, Dan Li, Wenhui Xi, Fang Luo, Xiang Zhang, Man Zou, Mi Cao, Jun Hu, Wenyuan Wang, Guanghong Wei, Yi Zhang, and Cong Liu.
    Tunable assembly of amyloid-forming peptides into nanosheets as a retrovirus carrier.
    Proc Natl Acad Sci U S A,112(10): 2996-3001 (2015) (pdf)


84. Cong Guo, Sebastien Cote, Normand Mousseau, and Guanghong Wei.
    Distinct Helix Propensities and Membrane Interactions of Human and Rat IAPP1-19 Monomers in Anionic Lipid Bilayers.
    Journal of Physical Chemistry B, 119(8): 3366-76 (2015) (pdf)


85. Yunxiang Sun, Wenhui Xi, and Guanghong Wei.
    Atomic-Level Study of the Effects of O4 Molecules on the Structural Properties of Protofibrillar Aβ Trimer: β-Sheet Stabilization, Salt Bridge Protection, and Binding Mechanism.
    Journal of Physical Chemistry B, 119(7): 2786-94 (2015) (pdf)


                                   2014


86. Luogang Xie, Dongdong Lin, Yin Luo, Huiyu Li, Xinju Yang, and Guanghong Wei.
    Effects of hydroxylated carbon nanotubes on the aggregation of Aβ(16-22) peptides: a combined simulation and experimental study.
    Biophysical Journal, 107(8):1930-1938 (2014) (pdf)


87. Yin Luo, Buyong Ma, Ruth Nussinov, Guanghong Wei.
    Structural insight into tau protein’s paradox of intrinsically disordered behavior, self-acetylation activity, and aggregation.
    Journal of Physical Chemistry Letters, 5:3026-3031 (2014) (pdf)


88. Luogang Xie, Yin Luo, Dongdong Lin, Wenhui Xi, Xinju Yang and Guanghong Wei.
    Molecular mechanism of fullerene-inhibited aggregation of Alzheimer’s β-amyloid peptide fragment.
    Nanoscale, 6:9752-9762 (2014) (pdf)


89. Xiaoying Zhou, Wenhui Xi, Yin Luo, Siqin Cao, and Guanghong Wei.
    Interactions of a water-soluble fullerene derivative with amyloid-β protofibrils: dynamics, binding mechanism, and the resulting salt-bridge disruption.
    Journal of Physical Chemistry B, 118(24):6733-41 (2014) (pdf)


90. Zhenyu Qian and Guanghong Wei.
    Electric-field-induced phase transition of confined water nanofilms between two graphene sheets.
    Journal of Physical Chemistry A, 118(39):8922-8 (pdf)


91. Zhenyu Qian, Zhaoming Fu, and Guanghong Wei.
    Influence of electric fields on the structure and structure transition of water confined in a carbon nanotube.
    Journal of Chemical Physics, 140:154508 (2014) (pdf)


92. Dongdong Lin, Yin Luo, Shan Wu, Qianqian Ma, Guanghong Wei, Xinju Yang.
    Investigation of the Aggregation Process of Amyloid-β-(16-22) Peptides and the Dissolution of Intermediate Aggregates.
    Langmuir, 30(11):3170-3175 (2014) (pdf)


93. Cong Guo, Yin Luo, Ruhong Zhou, and Guanghong Wei.
    Triphenylalanine peptides self-assemble into nanospheres and nanorods that are different from the nanovesicles and nanotubes formed by diphenylalanine peptides.
    Nanoscale, 6(5):2800-11 (2014) (pdf)


94. Sebastien Cote, Guanghong Wei, and Normand Mousseau.
    Atomistic mechanisms of Huntingtin N-terminal fragment insertion on a phospholipid bilayer revealed by molecular dynamics simulations.
    PROTEINS: Structure, Function, and Bioinformatics 82:1409-1427 (2014) (pdf)


95. Virginia Meyer, Paul D. Dinkel, Yin Luo, Xiang Yu, Guanghong Wei, Jie Zheng, Gareth R. Eaton, Buyong Ma, Ruth Nussinov, Sandra S. Eaton, Martin Margittai
    Single Mutations in Tau Modulate the Populations of Fibril Conformers through Seed Selection.
    Angewandte Chemie International Edition, 53(6):1590-1593 (2014) (pdf)


96. Ruxi Qi, Yin Luo, Buyong Ma, Ruth Nussinov, Guanghong Wei.
    Conformational distribution and α-helix to β-sheet transition of human amylin fragment dimer.
    Biomacromolecules, 15(1):122-131 (2014) (pdf)


                                   2013


97. Qianqian Ma, Guanghong Wei, and Xinju Yang..
    Influence of Au nanoparticles on the aggregation of amyloid-β-(25-35) peptides.
    Nanoscale, 5:10397-10403 (2013). (pdf)


98. Luogang Xie, Yin Luo, and Guanghong Wei.
    Aβ(16-22) Peptides can assemble into ordered β-barrels and bilayer β-sheets, while substitution of phenylalanine 19 by tryptophan increases the population of disordered aggregates.
    Journal of Physical Chemistry B, 117: 10149-10160 (2013). (pdf)


99. Yan Lu, Wenhui Xi, and Guanghong Wei.
    Structural insight into the polymorphism of NNQNTF protofibril: importance of interfacial water, polar and aromatic residues.
    Journal of Theoretical Computational Chemistry, 12(8), 1341012, (2013) (pdf)


100. Yonghua Deng, Zhenyu Qian, Yin Luo, Yun Zhang, Yuguang Mu, and Guanghong Wei.
     Membrane Binding and Insertion of a pHLIP Peptide Studied by All-atom Molecular Dynamics Simulations.
     International Journal of Molecular Sciences, 14(7): 14532-14549 (2013) (pdf)


101. Yin Luo, Paul Dinkel, Xiang Yu, Martin Margittai, Jie Zheng, Ruth Nussinov, Guanghong Wei and Buyong Ma.
     Molecular insights into the reversible formation of tau protein fibrils.
     Chemical Communications (Camb), 49(34): 3582-3584 (2013) (pdf)


102. Yan Jia, Zhenyu Qian, Yun Zhang, and Guanghong Wei.
     Adsorption and Orientation of Human Islet Amyloid Polypeptide (hIAPP) Monomer at Anionic Lipid Bilayers: Implications for Membrane-Mediated Aggregation.
     International Journal of Molecular Sciences, 14(3): 6241-58 (2013) (pdf)


103. Seung-gu Kang, Tien Huynh, Zhen Xia, Yi Zhang, Haiping Fang, Guanghong Wei, Ruhong Zhou.
     Hydrophobic Interaction Drives Surface-Assisted Epitaxial Assembly of Amyloid-like Peptides.
     Journal of American Chemical Society, 135: 3150-3157 (2013) (pdf)


104. Xiaobo Mao, Yuanyuan Guo, Yin Luo, Lin Niu, Lei Liu, Xiaojing Ma, Huibin Wang, Yanlian Yang, Guanghong Wei, Chen Wang.
     Sequence effects on peptide assembly characteristics observed by using scanning tunneling microscopy.
     Journal of American Chemical Society, 135: 2181-2187 (2013) (pdf)


105. Guanghong Wei, Yin Luo, and Zhaoming Fu.
     Molecular insights into the assembly of Aβ on surfaces and carbon nanotubes;
     In "Alzheimer's Disease: Insights into Low Molecular Weight and Cytotoxic Aggregates from In Vitro and Computer Experiments - Molecular Basis of Amyloid-β Protein Aggregation and Fibril Formation". Derreumaux, P.; Ed.;
     Molecular Medicine and Medicinal Chemistry; Imperial College Press: London, UK, Vol 7. Pub. date: March 7, 2013.


                                   2012


106. Yibing Wang, Yibao Li, Yin Luo, Meng Xu, Xuemei Zhang, Yuanyuan Guo, Guanghong Wei, Lihua Yuan, Bing Gong, Yanlian Yang, and Chen Wang.
     Study on Molecular Cavity of Oligoamide Macrocycles by Using Scanning Tunneling Microscopy.
     ChemPhysChem, 13(16): 3598-3604 (2012). (pdf)


107. Sebastien Cote, Guanghong Wei, and Normand Mousseau.
     All-Atom Stability and Oligomerization Simulations of Polyglutamine Nanotubes With and Without the 17-Amino-Acid N-Terminal Fragment of the Huntingtin Protein.
     Journal of Physical Chemistry B, 116(40):12168-12179 (2012). (pdf)


108. Jun Zhao, Yin Luo, Hyunbum Jang, Xiang Yu, Guanghong Wei, Ruth Nussinov, Jie Zheng.
     Probing ion channel activity of human islet amyloid polypeptide (amylin).
     Biochimica et Biophysica Acta (BBA) - Biomembranes, 1818 (12): 3121-3130 (2012). (pdf)


109. Yan Lu, Guanghong Wei, and Philippe Derreumaux.
     Structural, thermodynamical and dynamical properties of oligomers formed by the amyloid NNQQ peptide: insights from coarse-grained simulations.
     Journal of Chemical Physics, 137, 025101 (2012). (pdf)


110. Ayisha Siddiqua, Yin Luo, Virginia Meyer, Michael A. Swanson, Xiang Yu, Guanghong Wei, Jie Zheng, Gareth R. Eaton, Buyong Ma, Ruth Nussinov, Sandra S. Eaton, and Martin Margittai.
     Conformational Basis for Asymmetric Seeding Barrier in Filaments of Three- and Four-Repeat Tau.
     Journal of American Chemical Society, 134: 10271-8 (2012) (pdf)


111. Yun Zhang, Yin Luo, Yonghua Deng, Yuguang Mu, and Guanghong Wei.
     Lipid interaction and membrane perturbation of human islet amyloid polypeptide monomer and dimer by molecular dynamics simulations.
     PLoS ONE, 7: e38191,(2012). (pdf)


112. Cong Guo, Yin Luo, Ruhong Zhou, and Guanghong Wei.
     Probing the self-assembly mechanism of diphenylalanine-based peptide nanovesicles and nanotubes.
     ACS Nano, 6: 3907-3918 (2012). (pdf)


113. Xiang Yu, Yin Luo, Paul Dinkel, Jie Zheng, Guanghong Wei, Martin Margittai, Ruth Nussinov, and Buyong Ma.
     Cross-seeding and conformational selection between three- and four-repeat human Tau proteins.
     Journal of Biological Chemistry, 287: 14950-14959 (2012). (pdf)


                                   2011


114. Huiyu Li, Yin Luo, Philippe Derreumaux, and Guanghong Wei.
     Carbon nanotube inhibits the formation of β-sheet-rich oligomers of the Alzheimer's amyloid-β(16-22) peptide.
     Biophysical Journal, 101: 2267-2276 (2011). (pdf)


115. Siqin Cao, Guanghong Wei, and Jeff Z. Y. Chen.
     Transformation of an oblate-shaped vesicle induced by an adhering spherical particle.
     Physical Review E (Rapid Commun.), 84, 050901 (2011). (pdf)


116. Weixin Xu, Guanghong Wei, Haibin Su, Lars Nordenskiold, and Yuguang Mu
     Effects of cholesterol on pore formation in lipid bilayers induced by human islet amyloid polypeptide fragments: A coarse-grained molecular dynamics study.
     Physical Review E , 84, 051922 (2011). (pdf)


117. Luchun Ou, Yin Luo, and Guanghong Wei.
     Atomic-level study of adsorption, conformational change and dimerization of an α-helical peptide at graphene surface.
     Journal of Physical Chemistry B, 115: 9813-9822 (2011). (pdf)


118. Zhaoming Fu, Yin Luo, Jianpeng Ma, and Guanghong Wei.
     Phase transition of nanotube-confined water driven by electric field.
     Journal of Chemical Physics 134: 154507 (2011). (pdf)


119. Rozita Laghaei, Normand Mousseau, and Guanghong Wei.
     Structure and Thermodynamics of Amylin Dimer Studied by Hamiltonian-Temperature Replica Exchange Molecular Dynamics Simulations.
     Journal of Physical Chemistry B 115: 3146-3154 (2011). (pdf)


120. Zhongwen Chang; Yin Luo, Yun Zhang, Guanghong Wei.
     Interactions of Aβ25-35 β-Barrel-Like Oligomers with Anionic Lipid Bilayers and Resulting Membrane Leakage: An All-Atom Molecular Dynamics Study.
     Journal of Physical Chemistry B 115: 1165-1174 (2011). (pdf)


121. Yan Lu, Guanghong Wei, and Philippe Derreumaux.
     Effects of G33A and G33I Mutations on the Structures of Monomer and Dimer of the Amyloid-β Fragment 29-42 by Replica Exchange Molecular Dynamics Simulations.
     Journal of Physical Chemistry B 115: 1282-1288 (2011). (pdf)


                                 2010


122. Guanghong Zuo, Qing Huang, Guanghong Wei, Ruhong Zhou, Haiping Fang.
     Plugging Into Proteins: Poisoning Protein Function by a Hydrophobic Nanoparticle.
     ACS Nano 4: 7508-7514 (2010). (pdf)


123. Rozita Laghaei, Normand Mousseau, and Guanghong Wei.
     The Effect of Disulfide Bond on the Monomeric Structure of Human Amylin Studied by Combined Hamiltonian and Temperature Replica Exchange Molecular Dynamics Simulations.
     Journal of Physical Chemistry B 114: 7071-7077 (2010) (pdf)


124. Guanghong Wei, Andrew Jewett, and Joan-Emma Shea.
     Structural diversity of dimers of the Alzheimer Amyloid-β(25-35) peptide and polymorphism of the resulting fibrils.
     Physical Chemistry Chemical Physics 12: 3622-3629 (2010). (pdf)


125. Huiyu Li, Yin Luo, Philippe Derreumaux, and Guanghong Wei.
     Effects of the RGTFEGKF Inhibitor on the Structures of the Transmembrane Fragment 70-86 of Glycophorin A: An All-Atom Molecular Dynamics Study.
     Journal of Physical Chemistry B 114: 1004-1009 (2010). (pdf)


                                   2009


126. Zhaoming Fu, Yin Luo, Philippe Derreumaux, and Guanghong Wei.
     Induced β-barrel formation of the Alzheimer's Aβ25-35 oligomers on carbon nanotube surfaces: implication for amyloid fibril inhibition.
     Biophysical Journal 97: 1795-1803 (2009). (pdf)


127. Yan Lu, Philippe Derreumaux, Zhi Guo, Normand Mousseau, and Guanghong Wei.
     Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent.
     Proteins: Structure, Function, and Bioinformatics 75: 954-963 (2009). (pdf)


128. Yuxiang Mo, Yan Lu, Guanghong Wei and Philippe Derreumaux.
     Structural diversity of the soluble trimers of the human amylin(20-29) peptide revealed by molecular dynamics simulations.
     Journal of Chemical Physics 130: 125101 (2009). (pdf)


                                   2008


129. Chungwen Liang, Philippe Derreumaux, Normand Mousseau, and Guanghong Wei.
     The β-strand-loop-β-strand conformation is marginally populated in β2-microglobulin (20-41) peptide in solution as revealed by replica exchange molecular dynamics simulations.
     Biophysical Journal 95: 510-517 (2008). (pdf)


130. Wei Song, Guanghong Wei, Normand Mousseau, and Philippe Derreumaux.
     Self-assembly of the β2-microglobulin NHVTLSQ peptide using coarse-grained protein model reveals β-barrel species.
     Journal of Physical Chemistry B 112: 4410-4418 (2008). (pdf)


131. Guanghong Wei, Wei Song, Philippe Derreumaux, and Normand Mousseau.
     Self-assembly of amyloid-forming peptides using molecular dynamics simulations.
     Frontiers in Bioscience 13: 5681-5692 (2008). (pdf)


                                   2007


132. Chungwen Liang, Philippe Derreumaux, Guanghong Wei.
     Structure and aggregation mechanism of β2-microglobulin(83-99) peptides studied by molecular dynamics simulations.
     Biophysical Journal 93: 3353-3362 (2007). (pdf)


133. Guanghong Wei, Normand Mousseau, and Philippe Derreumaux.
     Computational simulations of the early steps of protein aggregation.
     Prion 1: 3-8 (2007). (pdf)


                                   2006


134. Guanghong Wei, Joan-Emma Shea.
     Solvent effects on the structure of Alzheimer's amyloid-β(25-35) peptide.
     Biophysical Journal 91: 1638-1647 (2006). (pdf)


                                   2004


135. Guanghong Wei, Normand Mousseau, and Philippe Derreumaux.
     Sampling the self-assembly pathways of KFFE hexamers.
     Biophysical Journal 87: 3648-3656 (2004). (pdf)


136. Guanghong Wei, Normand Mousseau, and Philippe Derreumaux.
     Simulating the early steps of aggregation of amyloid-forming peptide KFFE.
     J. Phys.: Condens. Matter 16: S5047-S5054 (2004). (pdf)


137. Sebastien Santini, Guanghong Wei, Normand Mousseau, Philippe Derreumaux.
     Pathway complexity of Alzheimer's β-amyloid Aβ16-22 peptide assembly.
     Structure 12: 1245-1255 (2004). (pdf)


138. Philippe Derreumaux, Guanghong Wei, Sebastien Santini, Normand Mousseau.
     Early steps of amyloid-petide oligomerisation explored by simulations.
     Neurobiology of Aging 25: S143 (2004).


139. Sebastien Santini, Guanghong Wei, Normand Mousseau, Philippe Derreumaux.
     Exploring the folding and aggregation mechanisms of amyloid-forming peptides by computer simulations.
     Amyloid and Amyloidosis, ISBN: 0849335345, Publisher: CRC Pr I Llc, p379-381, 2004. (pdf)


140. Guanghong Wei, Normand Mousseau, and Philippe Derreumaux.
     Complex folding pathways in a simple beta-hairpin.
     Proteins: Structure, Function, and Bioinformatics 56: 464-474 (2004). (pdf)


                                   2003


141. Sebastien Santini, Guanghong Wei, Normand Mousseau, Philippe Derreumaux.
     Exploring the folding pathways of proteins through energy landscape sampling: application to Alzheimer's β-amyloid Peptide.
     Internet Electron. J. Mol. Des. 2: 564 (2003). (pdf)


142. Philippe Derreumaux ,Guanghong Wei, Normand Mousseau.
     Protein Folding Simulations using the Activation-Relaxation Technique.
     Proceedings of the International Conference of computational methods in Sciences and Engineering 2003 (ICCMSE 2003), T.E. Simos editor, World Scientific, p. 678-681 (2003). (pdf)


143. Guanghong Wei, Philippe Derreumaux, Normand Mousseau.
     Sampling the complex energy landscape of a simple beta-hairpin.
     Journal of Chemical Physics 119: 6403 (2003). (pdf)


                                   2002


144. Guanghong Wei, Normand Mousseau, Philippe Derreumaux.
     Exploring the energy landscape of proteins: A characterization of the activation-relaxation technique.
     Journal of Chemical Physics 117: 11379 (2002). (pdf)


                                Before 2000


145. Guanghong Wei, Jian Zi, Kaiming Zhang and Xide Xie.
     Lattice dynamics of wurtzite semiconductors GaN and AlN.
     Acta Physica Sinica (Overseas Edition), 7: 841 (1998).


146. Y.G. Weng, Z.X. Yang, G.H. Wei, X.Q. Dai, S.Y. Wei, and T. Zhang.
     Ion neutralization on composite catalysts.
     Phys. Rev. B, 58: 10953 (1998).


147. Guanghong Wei, Jian Zi, Kaiming Zhang and Xide Xie.
     Lattice dynamics of GaN/AlN superlattices.
     J. Appl. Phys. 82: 622 (1997).


148. Guanghong Wei, Jian Zi, Kaiming Zhang and Xide Xie.
     Zone-centre optical phonons in wurtzite GaN and AlN.
     J. Appl. Phys. 82: 4693 (1997).


149. Jian Zi, Xin Wan, Guanghong Wei, Kaiming Zhang and Xide Xie.
     Lattice dynamics of Zinc-blende GaN and AlN: I. Bulk phonons.
     J. Phys.: Condens. Matter, 8: 6323 (1996).


150. Jian Zi, Guanghong Wei, Kaiming Zhang and Xide Xie.
     Lattice dynamics of Zinc-blende GaN and AlN: II. Superlattice phonons.
     J. Phys.: Condens. Matter, 8: 6329 (1996).


151. Z.X. Yang, G.H. Wei, X.Q. Dai, T. Zhang and M. Wang.
     Effect of impurity on ion neutralization.
     Phys. Rev. B, 52: 8483 (1995).


152. Z.X. Yang, G.H. Wei, X.Q. Dai, T. Zhang and M. Wang.
     Long-range effects on the ion neutralization process.
     Phys. Rev. B, 52: 10800 (1995).


153. G.H. Wei, Z.X.Yang, X.Q. Dai, T. Zhang and M. Wang.
     Ion neutralization at an Si- or Ge-type semiconductor surface.
     J. Phys.: Condens. Matter, 6: 4991 (1994).


154. G.H. Wei, Z.X.Yang, X.Q. Dai, S.Y. Wei, T. Zhang and M. Wang.
     Ion neutralization near a disordered binary alloy surface.
     J. Phys.: Condens. Matter, 6: 8133 (1994).


155. G.H. Wei, Z.X.Yang, S.Y. Wei, X.Q. Dai, T. Zhang and M. Wang.
     Ion neutralization at an ionic crystal surface.
     Surf. Sci., 317: 269 (1994).


156. G.H. Wei, Z.X.Yang, X.Q. Dai, S.Y. Wei, T. Zhang and M.Wang.
     Charge transfer during reflection of ions from disordered binary alloy.
     Phys. Lett. A, 193: 293 (1994).

Conference Talks (after 2004)：

1. KITPC program "Advanced Molecular Simulation Methods in the Physical Sciences". June 10-July 5, 2013. Beijing, China. 'Peptide self-assembly studied by molecular dynamics simulations' (Invited Talk).


2. Biophysical Society Meeting "Membrane Protein Folding". Seoul，South Korea, May 19-22, 2013. 'Lipid Interaction and Membrane Perturbation of Human Amylin by Molecular Dynamics Simulations' (Poster).


3. Chinese Physical Society Annual Meeting. Sept. 20-23, 2012, Guangzhou. 'Probing the self-assembly mechanism of phenylalanine peptide' (Invited Talk).


4. 第八届软物质与生命物质学术会议. Guiyang，Aug.20-23, 2012. 'Computational study of amyloid peptide-membrane interactions' (Invited Talk).


5. 第一届世界华人计算生物和分子模拟大会. Dalian, Aug.10-13, 2012..'Self-assembly of amyloid and non-amyloid polypeptides' (Invited Talk).


6. The 8th Cross-Strait Workshop on Biology Inspired Theoretical Sciences. June 25-30, 2012, 湖北宜昌. 'Probing the self-assembly of Alzheimer's amyloid b-peptide fragments' (Invited Talk).


7. CECAM workshop "Anchoring simulations to experiments: challenges for understanding and treating Alzheimer's disease". 21-23 May 2012, Paris, France. 'Oligomerization of Aβ(16-22) peptide and the effect of carbon nanotube on β-sheet formation'(Invited Talk).


8. Chinese Physical Society Annual Meeting. Sept. 15-18, 2011, Zhejiang. 'Carbon nanotube inhibits the formation of β-sheet-rich oligomers of the Alzheimer's amyloid-β(16-22) peptide' (Invited Talk).


9. 第七届全国液体和软物质物理学术会议. 西安，10月20-24,2010. 'Inhibition mechanism of Ab16-22 peptide fibrillation by hydrophobic nanoparticle' (Invited Talk).


10. Chinese Physical Society Annual Meeting. Sept. 17-19, 2010, Tianjin. 'Computational studies of the early steps of Ab25-35 peptide aggregation' (Invited Talk).


11. The Fourth International Conference on Biophysics and Molecular Biology. Shanghai-Jiashan, Aug 8-12, 2010, Shanghai. 'Structures of Ab25-35 oligomers in aqueous solution and on carbon nanotube surfaces' (Invited Talk).


12. The 7th Cross-Strait Workshop on Biology Inspired Theoretical Sciences. June 25-30, 2010, Taiwan. 'Structures of Ab25-35 oligomers in aqueous solution and on carbon nanotube surfaces' (Invited Talk).


13. Chinese Physical Society Annual Meeting. Sept. 18-21, 2009, Shanghai. 'Peptide aggregation in solution and on carbon nanotube surface' (Invited Talk).


14. KITPC program "Function and Dynamics of Biomolecules". Jul. 1-Aug. 15, 2009. Beijing, China. 'Peptide aggregation in solution and on carbon nanotube surface' (Invited Talk).


15. Workshop on Water at Biological Interfaces. Oct. 27-28, 2008, Hangzhou, China. 'Free energy landscape of trans- and cis-K3 peptides in explicit water'(Invited Talk).


16. International Conference of Computational Protein Structure and Mechanics. Sept. 12-13, 2008, Shanghai, China. 'Folding and aggregation of b2-microglobulin fragment studied by MD simulations'(Invited Talk).


17. Workshop on Molecular Structure and Dynamics of Interfacial Water, 14-18 Dec., 2007, Shanghai, China. 'Peptide aggregation studied by MD simulations in explicit water'(Invited Talk).


18. The 6th International Conference of Condensed Matter Theory and Computational Materials. 14-18 July, 2007, Zhengzhou, China. 'Computational Studies of the Early Steps of Peptide Aggregation'(Invited Talk).


19. The 5th International Conference of Condensed Matter Theory and Computational Materials. 10-15 July, 2006, Lanzhou, China. 'Peptide aggregation studied by all-atom MD simulations'(Invited Talk).


20. Workshop on Protein Aggregation. 22-24 May 2006, Lyon, France. 'Structural characterization of dimeric states of the Alzheimer amyloidβ(25-35) peptide studied by replica exchange molecular dynamics simulations in explicit solvent: implication for the protofibril structure'(Invited Talk).


21. Workshop on flexibility in biomolecules, Tempe, Arizona, 15-18 May, 2005. "Exploration of the conformational space of the Alzheimer's amyloid-β(25-35) peptide in water and in HFIP/water cosolvent through replica exchange molecular dynamics simulations.


22. A workshop in honor of professor Mike Thorpe's 60th birthday: flexibility in complex materials: glasses, amorphous and proteins, Sainte-Adele, Quebec, Canada, 7-10 August, 2004. "Simulating the early steps of aggregation of amyloid-forming peptide KFFE" (Talk).


23. The 9th International Conference on "Alzheimer's Disease and Related Disorders", Philadelphia, PA, USA, 17-22 July, 2004."Early steps of amyloid-peptide oligomerisation explored by simulations" (Poster).


24. RQMP scientific meeting, Montreal, Quebec, Canada, 29 June, 2004."Early steps of amyloid-peptide oligomerisation explored by simulations" (Poster).


25. Second comparative and integrative bioinformatics meeting, Montreal, Canada, June 4, 2004."Sampling the self-assembly pathways of KFFE hexamers" (Talk).


26. American Physical Society Meeting of 2004 in Montreal, Canada, 22-26 March, 2004."Exploring the assembly pathways of tetrapeptide oligomers by the activation-relaxation technique" (Talk).

Invited Seminars (after 2004):

1. Seminar at Laboratoire de Biochimie Theorique, CNRS, IBPC, Paris, France 9 Apr., 2009. ‘Computational studies of peptide folding, aggregation, peptide-carbon nanotube interactions’.
2. Seminar at Department of Physics, University of Montreal, Canada, 9 Feb., 2009. ‘Peptide folding, aggregation, and the interactions with nanoparticles: a molecular dynamics study’.
3. Seminar in CAS-MPG Partner Institute for Computational Biology in Shanghai, China, 27 Oct. 2007. ‘Computational studies of peptide folding and aggregation’.
4. Seminar in Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Oct. 29, 2007 ‘Computational studies of peptide self-assembly’.
5. Sminar at Laboratoire de Biochimie Theorique, CNRS, IBPC, Paris, France, 18 May, 2006. ‘Structural characterization of dimeric states of the Alzheimer amyloid β(25-35) peptide studied by replica exchange molecular dynamics simulations in explicit solvent: implication for the protofibril structure’.
6. Seminar at Department of Physics, California State University at Northridge，USA, 27 April, 2005. “Understanding folding and aggregation of amyloid-forming peptides by computer simulations”.