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DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking.
Trent E. Balius
Y. Stanley Tan
Mayukh Chakrabarti
Published in:
J. Comput. Chem. (2024)
Keyphrases
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small scale
data structure
low energy
real world
coarse to fine
high throughput
data sets
neural network
real life
hierarchical model
protein structure
scoring function