Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme
Keywords: Docking; Molecular dynamics simulations; Molecular mechanics Poisson-Boltzmann surface area; g_mmpbsa; proline-Rich oligopeptide; Toxicological prediction; ACE; Angiotensin-I converting enzyme; ADT; AutoDock Tools; CC50; Mean cytotoxic concentration; IC50