A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein

by Mingyuan Xu, Tong Zhu, Tong Zhu, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2018-05-01

Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins

by Mingyuan Xu, Tong Zhu, Tong Zhu, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2021-06-01

Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective

by Ran Wang, Yalong Cong, Mengxin Li, Jinxiao Bao, Yifei Qi, Yifei Qi, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2020-04-01

Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water

by Lili Duan, Xiaona Guo, Yalong Cong, Guoqiang Feng, Yuchen Li, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2019-08-01

Convexities and Existence of the Farthest Point

by Z. H. Zhang, C. Y. Liu
Published 2011-01-01

Convexity and Proximinality in Banach Space

by Z. H. Zhang, C. Y. Liu
Published 2012-01-01

Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes

by Xinsheng Jin, Tong Zhu, Tong Zhu, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, Xiao He, Xiao He, Xiao He
Published 2018-05-01

Computational Study of PCSK9-EGFA Complex with Effective Polarizable Bond Force Field

by Jian Chen, Lili Duan, Changge Ji, Changge Ji, John Z. H. Zhang, John Z. H. Zhang
Published 2018-01-01

Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field

by Yalong Cong, Yuchen Li, Kun Jin, Susu Zhong, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, Hao Li, Hao Li, Lili Duan
Published 2018-08-01

Computational Analysis of Residue-Specific Binding Free Energies of Androgen Receptor to Ligands

by Guangfeng Shao, Jingxiao Bao, Xiaolin Pan, Xiao He, Xiao He, Yifei Qi, Yifei Qi, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2021-03-01

Rational Design of Pepsin for Enhanced Thermostability via Exploiting the Guide of Structural Weakness on Stability

by Yue Zhao, Yulu Miao, Fengdong Zhi, Yue Pan, Jianguo Zhang, Xuepeng Yang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, Lujia Zhang, Lujia Zhang
Published 2021-09-01

Study on the Migration Direction of Mesozoic Oil/gas in Zhenjing Region of Erdos Basin

by H.X. Ge, Z.H. Zhang, N.T. Deng
Published 2015-12-01

Estimating the Thermal Conductivities and Elastic Stiffness of Carbon Nanotubes as a Function of Tube Geometry

by Z. H. Zhang, N. Yu, W. H. Chao
Published 2012-01-01

Theoretical studies of the spin Hamiltonian parameters for the two tetragonal Cu²⁺ centers in the calcined catalysts CuO-ZnO

by Z.H. Zhang, S.Y. Wu, H.M. Zhang
Published 2011-06-01

Mechanistic Studies of CO2 Cycloaddition Reaction Catalyzed by Amine-Functionalized Ionic Liquids

by Jian Chen, Han Gao, Tong Ding, Liangzheng Ji, John Z. H. Zhang, John Z. H. Zhang, Guohua Gao, Fei Xia, Fei Xia
Published 2019-09-01

Effect of Substituents in Different Positions of Aminothiazole Hinge-Binding Scaffolds on Inhibitor–CDK2 Association Probed by Interaction Entropy Method

by Jianzhong Chen, Xingyu Wang, John Z. H. Zhang, Tong Zhu
Published 2018-12-01

Effect of self-assembly of fullerene nano-particles on lipid membrane.

by Saiqun Zhang, Yuguang Mu, John Z H Zhang, Weixin Xu
Published 2013-01-01

Investigations of the EPR parameters for the tetrahedral [FeX₄]^- clusters in AgX (X=Cl, Br)

by Z.-H. Zhang, M.-Q. Kuang, S.-Y. Wu, B.-T. Song
Published 2012-03-01

Current Situation and Development Trend of Petrochemical Industry Emergency Logistics

by J.F. Zhao, C.X. Suo, Y. Yang, Z.H. Zhang
Published 2016-08-01

Theoretical studies of ⁶³Cu Knight shifts of the normal state of YBa₂Cu₃O₇

by Z.H. Zhang, S.Y. Wu, M.Q. Kuang, B.T. Song
Published 2011-12-01