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The Journal of Chemical Physics|January 9, 2026
Dynamic slowdown and spatial correlations in viscous silica melt: Perspectives from dynamic disorderShubham Kumar, Zhiye Tang, Shinji SaitoThe Journal of Chemical Physics|April 8, 2026
Super-Arrhenius dynamic slowdown revealed by slow variable modulation in the fragile supercooled liquidZhiye Tang, Shubham Kumar, Shinji SaitoJournal of Chemical Theory and Computation|April 19, 2017
Systematic Dissociation Pathway Searches Guided by Principal Component ModesZhiye Tang, Chia-En A ChangJournal of Chemical Theory and Computation|November 18, 2017
Binding Thermodynamics and Kinetics Calculations Using Chemical Host and Guest: A Comprehensive Picture of Molecular RecognitionZhiye Tang, Chia-En A ChangJournal of Chemical Theory and Computation|February 28, 2019
Potential Mean Force from Umbrella Sampling Simulations: What Can We Learn and What Is Missed?Wanli You, Zhiye Tang, Chia-En A ChangFrontiers in Bioscience (Landmark Edition)|November 5, 2016
Understanding ligand-receptor non-covalent binding kinetics using molecular modelingZhiye Tang, Christopher C Roberts, Chia-En A ChangJournal of Chemical Theory and Computation|February 8, 2020
Transient States and Barriers from Molecular Simulations and the Milestoning Theory: Kinetics in Ligand-Protein Recognition and Compound DesignZhiye Tang, Si-Han Chen, Chia-En A ChangJournal of Computer-Aided Molecular Design|May 9, 2018
A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discoveryTimothy Cholko, Wei Chen, Zhiye Tang, et al.Nature Communications|July 15, 2026
Fluctuation-driven mass-selective transport in dynamic nanoporesZhiye Tang, Ken-Ichi Otake, Hirotoshi Sakamoto, et al.The Journal of Physical Chemistry. A|November 8, 2022
Binding Kinetics Toolkit for Analyzing Transient Molecular Conformations and Computing Free Energy LandscapesTalant Ruzmetov, Ruben Montes, Jianan Sun, et al.Pageof 2