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"Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open ..."
Vytautas Gapsys et al. (2022)
- 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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