Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease-Reference-Cited by-同舟云学术

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

Published:2014-09-17 Issue:3 Volume:119 Page:976-988
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Deng Nanjie,Forli Stefano¹,He Peng,Perryman Alex¹,Wickstrom Lauren²,Vijayan R. S. K.,Tiefenbrunn Theresa¹,Stout David¹,Gallicchio Emilio³,Olson Arthur J.¹,Levy Ronald M.

Affiliation:

1. Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California 92037, United States

2. Borough of Manhattan Community College, The City University of New York, Department of Science, New York, New York 10007, United States

3. Department of Chemistry, Brooklyn College, the City University of New York, Brooklyn, New York, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp506376z

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