CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys-Reference-Cited by-同舟云学术

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys

Published:2013-05-10 Issue:8 Volume:53 Page:1842-1852
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Dunbar James B.¹,Smith Richard D.¹,Damm-Ganamet Kelly L.¹,Ahmed Aqeel¹,Esposito Emilio Xavier¹²,Delproposto James³,Chinnaswamy Krishnapriya³,Kang You-Na³,Kubish Ginger³,Gestwicki Jason E.³,Stuckey Jeanne A.³,Carlson Heather A.¹

Affiliation:

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

2. exeResearch LLC, 32 University Drive, East Lansing, Michigan 48823, United States

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

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/ci4000486

Reference48 articles.

1. Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

2. Variability in docking success rates due to dataset preparation

3. A very short history of structure-based design: how did we get here and where do we need to go?

4. Computer-aided molecular design under the SWOTlight

5. Can we really do computer-aided drug design?

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