Quantum simulations of SARS-CoV-2 main protease Mpro enable high-quality scoring of diverse ligands
Author:
Funder
Amazon Web Services
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
https://link.springer.com/content/pdf/10.1007/s10822-021-00412-7.pdf
Reference34 articles.
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5. Ryde U, Söderhjelm P (2016) Ligand-binding affinity estimates supported by quantum-mechanical methods. Chem Rev 116(9):5520–5566
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