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Plos One|July 19, 2014
Dynamically-driven enhancement of the catalytic machinery of the SARS 3C-like protease by the S284-T285-I286/A mutations on the extra domainLiangzhong Lim, Jiahai Shi, Yuguang Mu, et al.ACS Chemical Neuroscience|November 20, 2013
Atomic and dynamic insights into the beneficial effect of the 1,4-naphthoquinon-2-yl-L-tryptophan inhibitor on Alzheimer's Aβ1-42 dimer in terms of aggregation and toxicityTong Zhang, Weixin Xu, Yuguang Mu, et al.Biochimica Et Biophysica Acta|January 10, 2012
Identification of residues involved in water versus glycerol selectivity in aquaporins by differential residue pair co-evolutionXin Lin, Tian Hong, Yuguang Mu, et al.Journal of Chemical Information and Modeling|March 25, 2026
Unveiling the Activation Mechanism of Glucagon-Like Peptide-1 Receptor by an Ago-Allosteric Modulator via Molecular Dynamics SimulationsYue Chen, Junhao Li, Lucie Delemotte, et al.Proteins|May 7, 2016
Replica exchange molecular dynamics simulation of cross-fibrillation of IAPP and PrP106-126Khi Pin Chua, Lock Yue Chew, Yuguang MuThe Journal of Chemical Physics|May 10, 2008
Reversible folding simulation by hybrid Hamiltonian replica exchangeWeixin Xu, Tingfeng Lai, Ye Yang, et al.The Journal of Physical Chemistry. B|March 30, 2013
Molecular mechanism of the inhibition of EGCG on the Alzheimer Aβ(1-42) dimerTong Zhang, Jian Zhang, Philippe Derreumaux, et al.Biophysical Journal|March 16, 2011
Resveratrol inhibits the formation of multiple-layered β-sheet oligomers of the human islet amyloid polypeptide segment 22-27Ping Jiang, Weifeng Li, Joan-Emma Shea, et al.The Journal of Physical Chemistry. B|September 8, 2016
Exploring the A22-Bacterial Actin MreB Interaction through Molecular Dynamics SimulationsYaw Awuni, Shimin Jiang, Robert C Robinson, et al.Physical Chemistry Chemical Physics : PCCP|September 19, 2019
Persistent homology analysis of osmolyte molecular aggregation and their hydrogen-bonding networksKelin Xia, D Vijay Anand, Saxena Shikhar, et al.Pageof 35