John Zhang

Professor of Chemistry

1984 …2019
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proteins Physics & Astronomy
Potential energy surfaces Chemical Compounds
Proteins Chemical Compounds
Molecular dynamics Chemical Compounds
Wave packets Chemical Compounds
Scattering Chemical Compounds
Free energy Chemical Compounds
Molecules Chemical Compounds

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Research Output 1984 2019

entropy
Free energy
Permittivity
Entropy
Proteins

A Fragment Quantum Mechanical Method for Metalloproteins

Xu, M., He, X., Zhu, T. & Zhang, J., Jan 1 2019, (Accepted/In press) In : Journal of Chemical Theory and Computation.

Research output: Contribution to journalArticle

Metalloproteins
Potential energy
potential energy
fragments
Structural optimization

BAR-based optimum adaptive steered MD for configurational sampling

Wang, X., Tu, X., Deng, B., Zhang, J. & Sun, Z., Jan 1 2019, In : Journal of Computational Chemistry.

Research output: Contribution to journalArticle

Surface mount technology
Sampling
Adaptive Sampling
Free energy
Adaptive Method
Tacrolimus Binding Proteins
Technology
Molecular Dynamics Simulation
Steroid Receptors
Drug Design

Computational analysis for residue-specific CDK2-inhibitor bindings

Yang, Y. P., He, L. P., Bao, J. X., Qi, Y. F. & Zhang, J., Feb 1 2019, In : Chinese Journal of Chemical Physics. 32, 1, p. 134-142 9 p.

Research output: Contribution to journalArticle

Open Access
Cyclin-Dependent Kinase 2
inhibitors
Free energy
cancer
Cells