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GROMACS in the cloud: A global supercomputer to speed up alchemical drug design.
Carsten Kutzner
Christian Kniep
Austin Cherian
Ludvig Nordstrom
Helmut Grubmüller
Bert L. de Groot
Vytautas Gapsys
Published in:
CoRR (2022)
Keyphrases
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drug design
protein structure prediction
building blocks
quantitative structure activity
databases
drug discovery