SGPocket: A New Graph Convolutional Neural Network for Ligand-protein Binding Site Prediction.

Kevin CramponCedric BourrassetStéphanie Baud Luiz-Angelo Steffenel

Published in: Current medicinal chemistry (2024)

Thus, SGPocket allows the reduction of the exploration surface in the molecular docking process by restricting the simulation only to the site(s) predicted to be interesting.

Keyphrases

convolutional neural network
molecular docking
deep learning
molecular dynamics simulations
protein protein
binding protein