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Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?
Malgorzata N. Drwal
Célien Jacquemard
Carlos Perez
Jérémy Desaphy
Esther Kellenberger
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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drug design
virtual screening
drug discovery
protein structure prediction
similarity searching
protein protein interactions
horizontal fragmentation
database
neural network
computer vision
decision making
high throughput
machine learning
multiscale