Ontology highlight
ABSTRACT:
SUBMITTER: Gathiaka S
PROVIDER: S-EPMC5562487 | biostudies-literature | 2016 Sep
REPOSITORIES: biostudies-literature
Gathiaka Symon S Liu Shuai S Chiu Michael M Yang Huanwang H Stuckey Jeanne A JA Kang You Na YN Delproposto Jim J Kubish Ginger G Dunbar James B JB Carlson Heather A HA Burley Stephen K SK Walters W Patrick WP Amaro Rommie E RE Feher Victoria A VA Gilson Michael K MK
Journal of computer-aided molecular design 20160930 9
The Drug Design Data Resource (D3R) ran Grand Challenge 2015 between September 2015 and February 2016. Two targets served as the framework to test community docking and scoring methods: (1) HSP90, donated by AbbVie and the Community Structure Activity Resource (CSAR), and (2) MAP4K4, donated by Genentech. The challenges for both target datasets were conducted in two stages, with the first stage testing pose predictions and the capacity to rank compounds by affinity with minimal structural data; ...[more]