Wanli You

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 3

Top Topics

Protein Folding

Chemical Reactions

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Wanli You, Yuandao Chen
Exploring the inhibition mechanism of SARS-CoV-2 main protease by ebselen: A molecular docking, molecular dynamics simulation and DFT approach. J. Comput. Chem. 44 (26) (2023)
Wanli You, Chia-en A. Chang
Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors. J. Chem. Inf. Model. 58 (5) (2018)
Wanli You, Yu-ming M. Huang, Smitha Kizhake, Amarnath Natarajan, Chia-en A. Chang
Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design. PLoS Comput. Biol. 12 (8) (2016)