Ontology highlight
ABSTRACT:
SUBMITTER: Zhou Z
PROVIDER: S-EPMC2547888 | biostudies-literature | 2007 Jul-Aug
REPOSITORIES: biostudies-literature
Zhou Zhiyong Z Felts Anthony K AK Friesner Richard A RA Levy Ronald M RM
Journal of chemical information and modeling 20070623 4
Virtual screening by molecular docking has become a widely used approach to lead discovery in the pharmaceutical industry when a high-resolution structure of the biological target of interest is available. The performance of three widely used docking programs (Glide, GOLD, and DOCK) for virtual database screening is studied when they are applied to the same protein target and ligand set. Comparisons of the docking programs and scoring functions using a large and diverse data set of pharmaceutica ...[more]