Identification of Noncompetitive Protein–Ligand Interactions for Structural Optimization-Reference-Cited by-同舟云学术

Identification of Noncompetitive Protein–Ligand Interactions for Structural Optimization

Published:2020-10-21 Issue:12 Volume:60 Page:6595-6611
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Tosstorff Andreas¹²^ORCID,Cole Jason C.²^ORCID,Taylor Robin²^ORCID,Harris Seth F.³,Kuhn Bernd¹^ORCID

Affiliation:

1. Roche Pharma Research and Early Development, Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, 4070 Basel, Switzerland

2. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, U.K.

3. Structural Biology, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, 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/acs.jcim.0c00858

Reference51 articles.

1. Rationalizing Tight Ligand Binding through Cooperative Interaction Networks

2. Parameter Estimation for Scoring Protein−Ligand Interactions Using Negative Training Data

3. Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding

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