Cosolvent Simulations with Fragment-Bound Proteins Identify Hot Spots to Direct Lead Growth
Author:
Affiliation:
1. Department of Medicinal Chemistry, College of Pharmacy, 428 Church Street, Ann Arbor, Michigan 48109-1065, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01054
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1. Twenty years on: the impact of fragments on drug discovery
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3. A successful collaboration between academia, biotech and pharma led to discovery of erdafitinib, a selective FGFR inhibitor recently approved by the FDA
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5. ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets
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