Ontology highlight
ABSTRACT:
SUBMITTER: Alghamedy F
PROVIDER: S-EPMC5961778 | biostudies-literature | 2018
REPOSITORIES: biostudies-literature
AMIA Joint Summits on Translational Science proceedings. AMIA Joint Summits on Translational Science 20180518
Drug discovery is an expensive, lengthy, and sometimes dangerous process. The ability to make accurate computational predictions of drug binding would greatly improve the cost-effectiveness and safety of drug discovery and development. This study incorporates ensemble docking, the use of multiple protein conformations extracted from a molecular dynamics trajectory to perform docking calculations, with additional biomedical data sources and machine learning algorithms to improve the prediction of ...[more]