Yan Li

发表

Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections.

Guohui Li, Dinglin Zhang, Yuebin Zhang, 2016, Journal of chemical theory and computation.

Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids

Guohui Li, Yuebin Zhang, Xiangda Peng, 2018 .

Mechanistic insight into the functional transition of the enzyme guanylate kinase induced by a single mutation

Yan Li, Huiying Chu, Guohui Li, 2015, Scientific Reports.

Coarse-Grained Modeling of Nucleic Acids Using Anisotropic Gay-Berne and Electric Multipole Potentials.

Guohui Li, Dinglin Zhang, Yan Li, 2016, Journal of chemical theory and computation.

Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions

Guohui Li, Wei Guo, Yan Li, 2016, Frontiers of Chemical Science and Engineering.

Quality of force fields and sampling methods in simulating pepX peptides: a case study for intrinsically disordered proteins.

Guohui Li, Dinglin Zhang, Xiangda Peng, 2021, Physical chemistry chemical physics : PCCP.

Computer Simulations to Explore Membrane Organization and Transport

Yan Li, Yuebin Zhang, Huiying Chu, 2018 .

Anisotropic Coarse-Grained Model for Proteins Based On Gay–Berne and Electric Multipole Potentials

Yan Li, Pengyu Ren, Guohui Li, 2014, Journal of chemical theory and computation.

Large-scaled Biomolecular Conformational Transitions Explored by Combined Elastic Network Model and Enhanced Sampling Molecular Dynamics.

Guohui Li, Dinglin Zhang, Zhichao Zhang, 2019, The journal of physical chemistry letters.

Synergistic effect of conformational changes in phosphoglycerate kinase 1 product release

Guohui Li, Sijing Wu, Huiying Chu, 2022, Journal of biomolecular structure & dynamics.

Cholesterol modulating the orientation of His17 in hepatitis C virus p7 (5a) viroporin – A molecular dynamic simulation study

Guohui Li, Yuebin Zhang, Xiangda Peng, 2017 .

Coarse-grained molecular dynamics study based on TorchMD

Qi Guo, Guohui Li, Yan Li, 2021, Chinese Journal of Chemical Physics.

An anisotropic coarse‐grained model based on Gay–Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model

Hujun Shen, Yan Li, Huiying Chu, 2015, J. Comput. Chem..

A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids

Guohui Li, Yuebin Zhang, Xiangda Peng, 2017, Molecules.

Polarizable atomic multipole-based force field for cholesterol.

Huiying Chu, Yan Li, Guohui Li, 2023, Journal of biomolecular structure & dynamics.

Structural insights into the mechanism of GTP initiation of microtubule assembly

Jia Wang, Anhui Wang, Hong-Wei Wang, 2023, Nature communications.