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"GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug ..."
Carsten Kutzner et al. (2022)
- Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller
, Bert L. de Groot
, Vytautas Gapsys
:
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design. J. Chem. Inf. Model. 62(7): 1691-1711 (2022)
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