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1 Ergebnisse
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Pre-Exascale Computing of Protein–Ligand Binding Free Energ..:
Gapsys, Vytautas
;
Hahn, David F.
;
Tresadern, Gary
...
Journal of Chemical Information and Modeling. 62 (2022) 5 - p. 1172-1177 , 2022
Link:
https://doi.org/10.1021/acs.jcim.1c01445
RT Journal T1 <Title>Pre-Exascale Computing of Protein–Ligand Binding Free Energies with Open Source Software for Drug Design</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.1c01445&Exemplar=1&LAN=DE A1 Gapsys, Vytautas A1 Hahn, David F. A1 Tresadern, Gary A1 Mobley, David L. A1 Rampp, Markus A1 de Groot, Bert L. PB American Chemical Society (ACS) YR 2022 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 62 IS 5 SP 1172 OP 1177 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c01445 DO https://doi.org/10.1021/acs.jcim.1c01445 SF ELIB - SuUB Bremen
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