John Z. H. Zhang

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein–Ligand Binding Free Energy

Lili Duan, Xiao Liu, John Z. H. Zhang · Journal of the American Chemical Society · 2016 · 458 citations

Natural Sciences, Biophysics, Chemistry +16

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches

Huiyong Sun, Lili Duan, Fu Chen et al. · Physical Chemistry Chemical Physics · 2018 · 363 citations

Natural Sciences, Biophysics, Medicinal Chemistry +17

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Jinzhe Zeng, Liqun Cao, Mingyuan Xu et al. · Nature Communications · 2020 · 296 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Quantum reactive scattering with a deep well: Time-dependent calculation for H+O2 reaction and bound state characterization for HO2

Dong H. Zhang, John Z. H. Zhang · The Journal of Chemical Physics · 1994 · 284 citations

Natural Sciences, Chemistry, Physics +17

DeepDDG: Predicting the Stability Change of Protein Point Mutations Using Neural Networks

Huali Cao, Jingxue Wang, Liping He et al. · Journal of Chemical Information and Modeling · 2019 · 257 citations

Engineering, Bioinformatics, Molecular Biology +14