Protein structure-based drug design: from docking to molecular dynamics.

Śledź, Paweł

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