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Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics.
Silvia Atanasio
Giuseppe Deganutti
Christopher A. Reynolds
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
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molecular dynamics
scientific data
high performance computing
molecular dynamics simulations
semi supervised
learning algorithm
protein folding
supervised learning
machine learning
data generation
fluid flow
databases
data mining
database systems
data analysis