Tong Zhu

Donor Engineering for NIR-II Molecular Fluorophores with Enhanced Fluorescent Performance

Qinglai Yang, Zhubin Hu, Shoujun Zhu et al. · Journal of the American Chemical Society · 2018 · 527 citations

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

Jinzhe Zeng, Liqun Cao, Mingyuan Xu et al. · Nature Communications · 2020 · 272 citations · Full text

Fragment Quantum Mechanical Calculation of Proteins and Its Applications

Xiao He, Tong Zhu, Xianwei Wang et al. · Accounts of Chemical Research · 2014 · 218 citations

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations

Jinzhe Zeng, Liqun Cao, Chih‐Hao Chin et al. · Physical Chemistry Chemical Physics · 2019 · 209 citations

Molecular Dynamics, Engineering, Reaction Process +13

Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations

Jianzhong Chen, Xingyu Wang, Laixue Pang et al. · Nucleic Acids Research · 2019 · 177 citations · Full text