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Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions.
David F. Hahn
Vytautas Gapsys
Bert L. de Groot
David L. Mobley
Gary Tresadern
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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open source
data sets
protein sequences
drug design
computer vision
neural network
data mining
state space
source code
computational methods
open source software
commercial systems