Jinan Wang

发表

G‐Protein‐Coupled Receptor–Membrane Interactions Depend on the Receptor Activation State

Yinglong Miao, Apurba Bhattarai, Jinan Wang, 2020, J. Comput. Chem..

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

Jiye Shi, Weiliang Zhu, Zhijian Xu, 2014, The journal of physical chemistry. B.

Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study

Jiye Shi, Weiliang Zhu, Zhijian Xu, 2019, ACS omega.

A System-Level Investigation into the Mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for Cardiovascular Disease Treatment

Xue Xu, Hongjun Yang, Haiyu Xu, 2012, PloS one.

Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2017, Physical chemistry chemical physics : PCCP.

Thermodynamics calculation of protein–ligand interactions by QM/MM polarizable charge parameters

Jiye Shi, Weiliang Zhu, Benjamin P. Cossins, 2016, Journal of biomolecular structure & dynamics.

Mapping central α-helix linker mediated conformational transition pathway of calmodulin via simple computational approach.

Jiye Shi, Xiangke Liao, Weiliang Zhu, 2014, The journal of physical chemistry. B.

Stability and Characteristics of the Halogen Bonding Interaction in an Anion-Anion Complex: A Computational Chemistry Study.

Jiye Shi, Yang Yang, Zhijian Xu, 2016, The journal of physical chemistry. B.

Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2014, PloS one.

Ammonium Transport Proteins with Changes in One of the Conserved Pore Histidines Have Different Performance in Ammonia and Methylamine Conduction

Weiliang Zhu, Mike Merrick, Qiang Shao, 2013, PloS one.

A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation

Weiliang Zhu, Qinggang Zhang, Jianzhong Chen, 2015, Journal of biomolecular structure & dynamics.

Systems pharmacology strategies for drug discovery and combination with applications to cardiovascular diseases.

Wei Zhou, Wei Wang, Bohui Li, 2014, Journal of ethnopharmacology.

Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design?

Jiye Shi, Yang Yang, Shujin Li, 2015, The journal of physical chemistry. B.

Molecular dynamics simulations on the mechanism of transporting methylamine and ammonia by ammonium transporter AmtB.

Zhili Zuo, Weiliang Zhu, Yong Wang, 2010, The journal of physical chemistry. B.