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Tong Zhu (朱通)
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Year
Fragment quantum mechanical calculation of proteins and its applications
X He, T Zhu, X Wang, J Liu, JZH Zhang
Accounts of chemical research 47 (9), 2748-2757, 2014
1882014
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
J Zeng, L Cao, M Xu, T Zhu, JZH Zhang
Nature communications 11 (1), 5713, 2020
1442020
Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations
J Chen, X Wang, L Pang, JZH Zhang, T Zhu
Nucleic Acids Research 47 (13), 6618-6631, 2019
1362019
A comparative insight into amprenavir resistance of mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 protease based on thermodynamic integration and MM-PBSA methods
J Chen, X Wang, T Zhu, Q Zhang, JZH Zhang
Journal of chemical information and modeling 55 (9), 1903-1913, 2015
1162015
An Electrochemical Biosensor with Dual Signal Outputs: Toward Simultaneous Quantification of pH and O2 in the Brain upon Ischemia and in a Tumor during …
L Liu, F Zhao, W Liu, T Zhu, JZH Zhang, C Chen, Z Dai, H Peng, JL Huang, ...
Angewandte Chemie International Edition 56 (35), 10471-10475, 2017
842017
Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation
T Zhu, X He, JZH Zhang
Physical Chemistry Chemical Physics 14 (21), 7837-7845, 2012
812012
Automated fragmentation QM/MM calculation of amide proton chemical shifts in proteins with explicit solvent model
T Zhu, JZH Zhang, X He
Journal of chemical theory and computation 9 (4), 2104-2114, 2013
752013
ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations
J Zeng, L Cao, CH Chin, H Ren, JZH Zhang, T Zhu
Physical chemistry chemical physics 22 (2), 683-691, 2020
722020
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins
J Liu, T Zhu, X Wang, X He, JZH Zhang
Journal of chemical theory and computation 11 (12), 5897-5905, 2015
652015
AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules
J Swails, T Zhu, X He, DA Case
Journal of biomolecular NMR 63, 125-139, 2015
622015
Self-assembly of metallo-nucleoside hydrogels for injectable materials that promote wound closure
Q Tang, TN Plank, T Zhu, H Yu, Z Ge, Q Li, L Li, JT Davis, H Pei
ACS applied materials & interfaces 11 (22), 19743-19750, 2019
612019
Design, Synthesis, and Biological Evaluation of Imidazo[1,2-a]pyridine Derivatives as Novel PI3K/mTOR Dual Inhibitors
Y Yu, Y Han, F Zhang, Z Gao, T Zhu, S Dong, M Ma
Journal of Medicinal Chemistry 63 (6), 3028-3046, 2020
592020
A new quantum calibrated force field for zinc–protein complex
T Zhu, X Xiao, C Ji, JZH Zhang
Journal of chemical theory and computation 9 (3), 1788-1798, 2013
512013
Structure-based design and synthesis of imidazo [1, 2-a] pyridine derivatives as novel and potent Nek2 inhibitors with in vitro and in vivo antitumor activities
JB Xi, YF Fang, B Frett, ML Zhu, T Zhu, YN Kong, FJ Guan, Y Zhao, ...
European Journal of Medicinal Chemistry 126, 1083-1106, 2017
482017
Single biosensor for simultaneous quantification of glucose and pH in a rat brain of diabetic model using both current and potential outputs
S Li, A Zhu, T Zhu, JZH Zhang, Y Tian
Analytical chemistry 89 (12), 6656-6662, 2017
472017
Molecular convolutional neural networks with DNA regulatory circuits
X Xiong, T Zhu, Y Zhu, M Cao, J Xiao, L Li, F Wang, C Fan, H Pei
Nature Machine Intelligence 4 (7), 625-635, 2022
462022
Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic …
GD Hu, T Zhu, SL Zhang, D Wang, QG Zhang
European journal of medicinal chemistry 45 (1), 227-235, 2010
372010
Exploring drug-resistant mechanisms of I84V mutation in HIV-1 protease toward different inhibitors by thermodynamics integration and solvated interaction energy method
Y Gao, T Zhu, J Chen
Chemical Physics Letters 706, 400-408, 2018
342018
Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations
J Chen, L Pang, W Wang, L Wang, JZH Zhang, T Zhu
Journal of Biomolecular Structure and Dynamics, 2019
322019
Molecular dynamics simulation of zinc ion in water with an ab initio based neural network potential
M Xu, T Zhu, JZH Zhang
The Journal of Physical Chemistry A 123 (30), 6587-6595, 2019
302019
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Articles 1–20