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The Journal of Physical Chemistry. B|January 8, 2024
Molecular Dynamics Simulations on Spike Protein Mutants Binding with Human β Defensin Type 2Liqun Zhang, Jadeson LiPhysical Chemistry Chemical Physics : PCCP|October 21, 2011
Thermodynamic properties calculation for MgO-SiO2 liquids using both empirical and first-principles molecular simulationsLiqun ZhangJournal of Chemical Information and Modeling|September 2, 2021
Interaction of Human β Defensin Type 3 (hBD-3) with Different PIP2-Containing Membranes, a Molecular Dynamics Simulation StudyLiqun ZhangThe Journal of Physical Chemistry. B|February 25, 2020
Disulfide Bonds Affect the Binding Sites of Human β Defensin Type 3 on Negatively Charged Lipid MembranesLiqun ZhangProteins|January 21, 2017
Different dynamics and pathway of disulfide bonds reduction of two human defensins, a molecular dynamics simulation studyLiqun ZhangThe Journal of Physical Chemistry. B|February 10, 2025
Exploring the Interaction of RBD with Human β Defensin Type 2 Point Mutants: Insights from Molecular Dynamics SimulationsIshrat Jahan, Liqun ZhangEnvironmental Science and Pollution Research International|January 22, 2026
Studying different polymer modified model asphalt using molecular dynamics simulation methodsGeorge Rucker, Liqun ZhangCommunications Chemistry|September 13, 2024
Interaction and dynamics of chemokine receptor CXCR4 binding with CXCL12 and hBD-3Jackson Penfield, Liqun ZhangBiomacromolecules|December 29, 2023
Comparison of the Interaction and Structure of Lignin in Pure Systems and in Asphalt Media by Molecular Dynamics SimulationsGeorge Rucker, Liqun ZhangThe Journal of Physical Chemistry. B|January 21, 2017
Molecular Dynamics Simulations Reveal Isoform Specific Contact Dynamics between the Plexin Rho GTPase Binding Domain (RBD) and Small Rho GTPases Rac1 and Rnd1Liqun Zhang, Matthias BuckPageof 60