An approach combining deep learning and molecule docking for drug discovery of cathepsin L.

Qi LiHao WangWei-Li YangJin-Kui Yang

Published in: Expert opinion on drug discovery (2023)

Our approach enables drug discovery from large-scale databases with little computational consumption, which will save the cost and time required for drug discovery.

Keyphrases

drug discovery
deep learning
molecular dynamics
molecular dynamics simulations
artificial intelligence
big data
convolutional neural network
small molecule