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    • Xuhui Huang

    6 results in Authors: Xuhui Huang

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

    , Authors: Taylor Quinn, Calvin N. Steussy, Brandon E. Haines, Jinping Lei, Wei Wang, Fu Kit Sheong, Cynthia V. Stauffacher, Xuhui Huang, Per-Ola Norrby, Paul Helquist, Olaf Wiest
    604
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    EPISOL: A Software Package with Expanded Functions to Perform 3D-RISM Calculations for the Solvation of Chemical and Biological Molecules

    , Authors: Siqin Cao, Michael Kalin, Xuhui Huang
    218
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Integrative Generalized Master Equation: A Theory to Study Long-timescale Biomolecular Dynamics via the Integrals of Memory Kernels

    , Authors: Siqin Cao, Yunrui Qiu, Michael Kalin, Xuhui Huang
    251
    Downloads
    Category: Physical Chemistry
    ,
    Review
    , Title:

    Memory unlocks the future of biomolecular dynamics: Transformative tools to uncover physical insights accurately and efficiently

    , Authors: Anthony Dominic, Siqin Cao, Andres Montoya-Castillo, Xuhui Huang
    158
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Step-by-step Guide on How to Construct quasi-Markov State Models to Study Functional Conformational Changes of Biological Macromolecules

    , Authors: Andrew Kai-hei Yik, Yunrui Qiu, Ilona Christy Unarta, Siqin Cao, Xuhui Huang
    1,250
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Aggregation-Induced Emission Artificial Enzyme (AIEzyme) with DNase-Like Activity: Imaging and Matrix Cleavage for Combating Bacterial Biofilm

    , Authors: Lei Han, Yucui Zhang, Xuhui Bian, Baojian Huang
    145
    Downloads