CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma-Reference-Cited by-同舟云学术

CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma

Published:2016-05-17 Issue:6 Volume:56 Page:1063-1077
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Carlson Heather A.¹,Smith Richard D.¹,Damm-Ganamet Kelly L.¹,Stuckey Jeanne A.²,Ahmed Aqeel¹,Convery Maire A.³,Somers Donald O.³,Kranz Michael³,Elkins Patricia A.⁴,Cui Guanglei⁴,Peishoff Catherine E.⁴,Lambert Millard H.⁴,Dunbar James B.¹

Affiliation:

1. Department of Medicinal Chemistry, College of Pharmacy, University of Michigan, 428 Church St., Ann Arbor, Michigan 48109-1065, United States

2. Center for Structural Biology, University of Michigan, 3358E Life Sciences Institute, 210 Washtenaw Ave., Ann Arbor, Michigan 48109-2216, United States

3. Computational and Structural Sciences, Medicines Research Centre, GlaxoSmithKline Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom

4. Computational and Structural Sciences, GlaxoSmithKline Research & Development, 1250 South Collegeville Road, Collegeville, Pennsylvania 19426, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00523

Reference109 articles.

1. Ensemble docking of multiple protein structures: Considering protein structural variations in molecular docking

2. Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

3. Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS