Protein structure-based drug design: from docking to molecular dynamics. [electronic resource]
- Current opinion in structural biology 02 2018
- 93-102 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Review
1879-033X
10.1016/j.sbi.2017.10.010 doi
Binding Sites Drug Design Drug Discovery--methods Drugs, Investigational--chemistry High-Throughput Screening Assays Humans Kinetics Ligands Molecular Docking Simulation Molecular Dynamics Simulation Protein Binding Protein Conformation Proteins--agonists Solvents--chemistry Structure-Activity Relationship Thermodynamics User-Computer Interface