KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination-Reference-Cited by-同舟云学术

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

Published:2020-11-06 Issue:12 Volume:60 Page:6081-6094
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sydow Dominique¹^ORCID,Schmiel Paula¹^ORCID,Mortier Jérémie²^ORCID,Volkamer Andrea¹^ORCID

Affiliation:

1. In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité—Universitätsmedizin Berlin, Charitéplatz 1, 10117 Berlin, Germany

2. Digital Technologies, Computational Molecular Design, Bayer AG, 13342 Berlin, Germany

Funder

Bundesministerium f?r Bildung und Forschung

Deutsche Forschungsgemeinschaft

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.0c00839

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4. Kooistra, A. J.; Volkamer, A. In Annual Reports in Medicinal Chemistry; Goodnow, R. A., Jr, Ed. Elsevier, 2017; Vol. 50, pp 197–236.

5. Ten things you should know about protein kinases: IUPHAR Review 14

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