Identification of Pak1 inhibitors using water thermodynamic analysis.

Biswal, Jayashree

Identification of Pak1 inhibitors using water thermodynamic analysis. [electronic resource] - Journal of biomolecular structure & dynamics 01 2020 - 13-31 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1538-0254

10.1080/07391102.2019.1567393 doi


Binding Sites
Drug Design
Drug Evaluation, Preclinical
Hydrogen Bonding
Ligands
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Protein Binding
Protein Kinase Inhibitors--chemistry
Quantitative Structure-Activity Relationship
Reproducibility of Results
Thermodynamics
Water--chemistry
p21-Activated Kinases--antagonists & inhibitors