TY - GEN AU - Zhao,Hongtao AU - Caflisch,Amedeo TI - Molecular dynamics in drug design SN - 1768-3254 PY - 2015///0930 KW - Crystallography, X-Ray KW - Drug Design KW - Enzyme Inhibitors KW - chemistry KW - High-Throughput Screening Assays KW - Humans KW - Ligands KW - Molecular Docking Simulation KW - Molecular Dynamics Simulation KW - Peptide Hydrolases KW - Protein Binding KW - Protein Structure, Tertiary KW - Protein-Tyrosine Kinases KW - antagonists & inhibitors KW - Small Molecule Libraries KW - Structure-Activity Relationship KW - User-Computer Interface N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Review UR - https://doi.org/10.1016/j.ejmech.2014.08.004 ER -