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Proteins|June 11, 2020
C1188D mutation abolishes specific recognition between MLL1-CXXC domain and CpG site by inducing conformational switch of flexible N-terminalJiawen Chen, Yanping Qi, Yong Duan, et al.
Chemistry, an Asian Journal|April 14, 2022
Lipid Clustering in Mycobacterial Cell Envelope Layers Governs Spatially Resolved Solvation DynamicsPranav Adhyapak, Wanqian Dong, Souradip Dasgupta, et al.
Physical Chemistry Chemical Physics : PCCP|February 6, 2025
The effect of the allosteric regulation on the catalytic activity of fructosyltransferase studied via molecular dynamics simulationsChaofan Yu, Yanqi Liu, Liang Fu, et al.
Journal of Chemical Information and Modeling|July 18, 2022
The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics SimulationsTao Jiang, Zhenhao Liu, Wenlang Liu, et al.
Proteins|February 26, 2019
All-atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraintsXinyue Su, Ke Wang, Na Liu, et al.
Journal of Chemical Theory and Computation|August 26, 2016
Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced SamplingMojie Duan, Na Liu, Wenfang Zhou, et al.
ACS Applied Bio Materials|July 26, 2023
Fusion Landscape of Mycobacterial Envelope-Derived Lipid Vesicles with Intact Bacteria Dictates High Intracellular Drug RetentionLydia Mathew, Dheeraj Kumar Verma, Kuan Liang, et al.
Journal of Chemical Information and Modeling|June 12, 2023
The Conformational Transitions and Dynamics of Burkholderia cepacia Lipase Regulated by Water-Oil InterfacesKuan Liang, Wanqian Dong, Jiamin Gao, et al.
The Journal of Physical Chemistry Letters|December 6, 2024
The Molecular Mechanism of Fluorescence Lifetime of Fluorescent Probes in Cell MembranesYanqi Liu, Lydia Mathew, Chaofan Yu, et al.
Journal of Chemical Information and Modeling|June 26, 2023
Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand BindingZhenhao Liu, Kuan Liang, Wenlang Liu, et al.
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