Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation-Reference-Cited by-同舟云学术

Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation

Published:2023-04-28 Issue:10 Volume:19 Page:3007-3021
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yu Wenbo¹²³^ORCID,Weber David J.²³,MacKerell Alexander D.¹²³^ORCID

Affiliation:

1. Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States

2. Institute for Bioscience and Biotechnology Research (IBBR), Rockville, Maryland 20850, United States

3. Center for Biomolecular Therapeutics (CBT), School of Medicine, University of Maryland Baltimore, Baltimore, Maryland 21201, United States

Funder

University of Maryland, Baltimore

Samuel Waxman Cancer Research Foundation

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00232

Reference77 articles.

1. Computer-Aided Drug Design: An Update

2. Covalent inhibitors: a rational approach to drug discovery

3. Advances in covalent drug discovery

4. The development of COX2 inhibitors

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