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Plos One|November 9, 2016
Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular DynamicsLiangzhen Zheng, Valerie Chunling Lin, Yuguang MuAntibiotics (Basel, Switzerland)|January 22, 2024
Structures, Interactions and Activity of the N-Terminal Truncated Variants of Antimicrobial Peptide ThanatinSwaleeha Jaan Abdullah, Yuguang Mu, Surajit BhattacharjyaThe Journal of Chemical Physics|May 2, 2009
Assembly dynamics of two-beta sheets revealed by molecular dynamics simulationsWeixin Xu, Jiang Ping, Weifeng Li, et al.Physical Chemistry Chemical Physics : PCCP|July 23, 2013
Heme prevents amyloid beta peptide aggregation through hydrophobic interaction based on molecular dynamics simulationLi Na Zhao, Yuguang Mu, Lock Yue ChewJournal of Chemical Theory and Computation|March 24, 2018
A Molecular Dynamics-Quantum Mechanics Theoretical Study of DNA-Mediated Charge Transport in Hydrated Ionic LiquidsZhenyu Meng, Tomas Kubar, Yuguang Mu, et al.Nanoscale|May 22, 2014
Conformation-dependent DNA attractionWeifeng Li, Lars Nordenskiöld, Ruhong Zhou, et al.Journal of Chemical Theory and Computation|December 2, 2015
Influence of Nitroxide Spin Labels on RNA Structure: A Molecular Dynamics Simulation StudyHang Yu, Yuguang Mu, Lars Nordenskiöld, et al.Briefings in Bioinformatics|May 2, 2024
RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning methodLai Heng Tan, Chee Keong Kwoh, Yuguang MuThe Journal of Physical Chemistry. B|August 6, 2010
pH-Dependent interactions of human islet amyloid polypeptide segments with insulin studied by replica exchange molecular dynamics simulationsPing Jiang, Lei Wei, Konstantin Pervushin, et al.Protein Science : a Publication of the Protein Society|October 22, 2025
AutoRevDock: An open-source toolkit for scalable reverse dockingQing Luo, Yuguang Mu, Liangzhen Zheng, et al.Pageof 35