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Supervised Molecular Dynamics (SuMD) as a Helpful Tool To Depict GPCR-Ligand Recognition Pathway in a Nanosecond Time Scale.
Davide Sabbadin
Stefano Moro
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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molecular dynamics
semi supervised
high performance computing
protein sequences
action recognition
activity recognition
scientific data
protein folding
data generation