Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling-Reference-Cited by-同舟云学术

Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling

Published:2017-08-08 Issue:8 Volume:57 Page:1881-1894
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sindhikara Dan¹^ORCID,Spronk Steven A.²,Day Tyler¹,Borrelli Ken¹,Cheney Daniel L.²,Posy Shana L.²^ORCID

Affiliation:

1. Schrödinger, Inc., 120 West 45th Street, 17th Floor, New York, New York 10036, United States

2. Bristol-Myers Squibb Research and Development, Computer-Assisted Drug Design, Molecular Discovery Technologies, P.O. Box 5400, Princeton, New Jersey 08543, 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.7b00052

Reference44 articles.

1. Tools and rules for macrocycles

2. The exploration of macrocycles for drug discovery — an underexploited structural class

3. The impact of natural products upon modern drug discovery

4. Cyclic and Macrocyclic Peptides as Chemical Tools To Recognise Protein Surfaces and Probe Protein-Protein Interactions

5. How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

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