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Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease.

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Title: Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease.
Authors: Ghahremanpour MM; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Saar A; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Tirado-Rives J; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Jorgensen WL; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2023 Aug 28; Vol. 63 (16), pp. 5309-5318. Date of Electronic Publication: 2023 Aug 10.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.3c00874
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      – Code: eng
        Text: English
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      – TitleFull: Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease.
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              Text: 2023 Aug 28
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