The Jarzynski binding free energy can effectively rank ligand-protein affinities in inadequate samplings
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Published:2024-04
Issue:
Volume:840
Page:141145
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ISSN:0009-2614
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Container-title:Chemical Physics Letters
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language:en
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Short-container-title:Chemical Physics Letters
Author:
Truong Duc Toan,
Ho KietORCID,
Nguyen Minh Tho