TY - GEN AU - Śledź,Paweł AU - Caflisch,Amedeo TI - Protein structure-based drug design: from docking to molecular dynamics SN - 1879-033X PY - 2019///0305 KW - Binding Sites KW - Drug Design KW - Drug Discovery KW - methods KW - Drugs, Investigational KW - chemistry KW - High-Throughput Screening Assays KW - Humans KW - Kinetics KW - Ligands KW - Molecular Docking Simulation KW - Molecular Dynamics Simulation KW - Protein Binding KW - Protein Conformation KW - Proteins KW - agonists KW - Solvents KW - Structure-Activity Relationship KW - Thermodynamics KW - User-Computer Interface N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Review UR - https://doi.org/10.1016/j.sbi.2017.10.010 ER -