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Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls.
Eleonora Ricci
George Giannakopoulos
Vangelis Karkaletsis
Doros N. Theodorou
Niki Vergadou
Published in:
CoRR (2022)
Keyphrases
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coarse grained
fine grained
hiv protease
protein structure prediction
molecular dynamics
protein folding
high level
protein sequences
higher order
three dimensional
molecular dynamics simulations
markov random field
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test collection
computational biology
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