"Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open ..."

Vytautas Gapsys et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01445

access: open

type: Journal Article

metadata version: 2023-08-28

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Vytautas Gapsys, David F. Hahn, Gary Tresadern, David L. Mobley, Markus Rampp, Bert L. de Groot:
Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design. J. Chem. Inf. Model. 62(5): 1172-1177 (2022)

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