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Using diverse potentials and scoring functions for the development of improved machine-learned models for protein-ligand affinity and docking pose prediction.
Omar N. A. Demerdash
Published in:
J. Comput. Aided Mol. Des. (2021)
Keyphrases
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learned models
scoring functions
drug design
subcellular localization
scoring function
generative model
protein interaction
protein structure prediction
training data
drug discovery
web search engines
high throughput
virtual screening
hiv protease