DOCK 6: Impact of new features and current docking performance-Reference-Cited by-同舟云学术

DOCK 6: Impact of new features and current docking performance

Published:2015-04-27 Issue:15 Volume:36 Page:1132-1156
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Allen William J.¹,Balius Trent E.¹,Mukherjee Sudipto¹,Brozell Scott R.²,Moustakas Demetri T.³,Lang P. Therese⁴,Case David A.²,Kuntz Irwin D.⁵,Rizzo Robert C.¹⁶⁷

Affiliation:

1. Department of Applied Mathematics & Statistics; Stony Brook University; Stony Brook New York 11794

2. BioMaPs Institute and Department of Chemistry and Chemical Biology, Rutgers University; Piscataway New Jersey 08854

3. Infection Innovative Medicines Unit, AstraZeneca; R&D Boston, 35 Gatehouse Drive Waltham Massachusetts 02451

4. Department of Molecular and Cell Biology; University of California Berkeley; Berkeley California 94720

5. Department of Pharmaceutical Chemistry; University of California San Francisco; San Francisco California 94143

6. Institute of Chemical Biology & Drug Discovery, Stony Brook University; Stony Brook New York 11794

7. Laufer Center for Physical & Quantitative Biology; Stony Brook University; Stony Brook New York 11794

Funder

National Institutes of Health

U.S. Department of Energy / State of New York

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23905/fullpdf

Reference137 articles.

1. Structure-Based Strategies for Drug Design and Discovery

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3. The Many Roles of Computation in Drug Discovery

4. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure

5. A geometric approach to macromolecule-ligand interactions

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