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John Zhang

Professor of Chemistry

1984 …2019
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Fingerprint Weighted list of dominant concepts in the researcher's publications (titles and abstracts).

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

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Research Output 1984 2019

Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water

Duan, L., Guo, X., Cong, Y., Feng, G., Li, Y. & Zhang, J., Aug 6 2019, In : Frontiers in Chemistry. 7, 540.

Research output: Contribution to journalArticle

Open Access
Protein folding
Molecular dynamics
Water
Computer simulation
Temperature
entropy
Free energy
Permittivity
Entropy
Proteins

A force consistent method for electrostatic energy calculation in fluctuating charge model

Duan, G., Ji, C. & Zhang, J., Sep 7 2019, In : Journal of Chemical Physics. 151, 9, 094105.

Research output: Contribution to journalArticle

Open Access
Electrostatics
electrostatics
energy
Coulomb interactions
Molecular dynamics

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