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Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET.
Ke Zuo
Riccardo Capelli
Giulia Rossetti
Rachel Nechushtai
Paolo Carloni
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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drug design
three dimensional
pairwise
surface reconstruction
drug discovery
virtual screening
protein protein
protein interaction
surface model
protein structure
case base
case based reasoning
d objects
online auctions
amino acids
high throughput
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