Zhao, Hongtao

Molecular dynamics in drug design. [electronic resource] - European journal of medicinal chemistry Feb 2015 - 4-14 p. digital

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

1768-3254

10.1016/j.ejmech.2014.08.004 doi


Crystallography, X-Ray
Drug Design
Enzyme Inhibitors--chemistry
High-Throughput Screening Assays
Humans
Ligands
Molecular Docking Simulation
Molecular Dynamics Simulation
Peptide Hydrolases--chemistry
Protein Binding
Protein Structure, Tertiary
Protein-Tyrosine Kinases--antagonists & inhibitors
Small Molecule Libraries--chemistry
Structure-Activity Relationship
User-Computer Interface