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John Zhang

Professor of Chemistry

    1984 …2019
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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