Ontology highlight
ABSTRACT:
SUBMITTER: Gaieb Z
PROVIDER: S-EPMC6472484 | biostudies-literature | 2019 Jan
REPOSITORIES: biostudies-literature
Gaieb Zied Z Parks Conor D CD Chiu Michael M Yang Huanwang H Shao Chenghua C Walters W Patrick WP Lambert Millard H MH Nevins Neysa N Bembenek Scott D SD Ameriks Michael K MK Mirzadegan Tara T Burley Stephen K SK Amaro Rommie E RE Gilson Michael K MK
Journal of computer-aided molecular design 20190110 1
The Drug Design Data Resource aims to test and advance the state of the art in protein-ligand modeling by holding community-wide blinded, prediction challenges. Here, we report on our third major round, Grand Challenge 3 (GC3). Held 2017-2018, GC3 centered on the protein Cathepsin S and the kinases VEGFR2, JAK2, p38-α, TIE2, and ABL1, and included both pose-prediction and affinity-ranking components. GC3 was structured much like the prior challenges GC2015 and GC2. First, Stage 1 tested pose pre ...[more]