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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 (in press) DOI: 10.1088/1674-1056/ad1a92 pdf (IF: 1.7)
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 (IF: 6.7)
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 (IF: 11.9)
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 (IF: 8.2)
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 (IF: 3.466)
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 (IF: 6.166)
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
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 (IF: 3.945)
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 (IF: 8.025)
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 (IF: 5.78)
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) (IF: 4.088)
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) (IF: 8.025)
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) (IF: 5.78)
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) (IF: 8.025)
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) (IF: 5.006)
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) (IF: 6.166)
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) (IF: 3.945)
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) (IF: 3.699)
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) (IF: 3.945)
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) (IF: 16.383)
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) (IF: 7.832)
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) (IF: 5.78)
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) (IF: 3.945)
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) (IF: 3.945)
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) (IF: 3.466)
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) (IF: 5.78)
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) (IF: 6.065)
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) (IF: 3.628)
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) (IF: 7.832)
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) (IF: 6.888)
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(8): 2050–2060. (pdf) (IF: 3.466)
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) (IF: 72.087)
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) (IF: 3.570)
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) (IF: 4.486)
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) (IF: 4.486)
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) (IF: 12.959)
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) (IF: 1.223)
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) (IF: 12.959) （亮点介绍）
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) (IF: 4.486)
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) (IF: 3.43)
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) (IF: 6.895)
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) (IF: 3.693)
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) (IF: 27.398)
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) (IF: 12.353)
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. (pdf) (IF: 4.211)
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) (IF: 3.906)
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) (IF: 3.906)
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) (IF: 15.804)
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) (IF: 3.906)
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) (IF: 13.709)
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) (IF: 3.906)
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: 10.1096/fj.201801973R (pdf) (IF: 5.595)
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) (IF: 4.211)
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) (IF: 4.211)
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) (IF: 3.906)
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). doi: 10.1039/C8CP01631C. (pdf) (IF: 3.906)
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). doi: 10.1007/978-1-4939-7811-3_5. (pdf)
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 (2018). doi: 10.1039/c8cc01263FF. (pdf) (IF: 6.290)
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). doi: 10.1039/c8nr01041b. (pdf) (IF: 7.233)
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). doi: 10.1021/acsnano.7b07723. (pdf) (IF: 13.709)
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) (IF: 3.438)
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) (IF: 3.438)
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