Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets.

Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian Peng Jianzhu Ma

Published in: CoRR (2022)

Keyphrases

three dimensional
molecular dynamics
drug discovery
protein structure prediction
sequence analysis
pairwise
drug design
interaction networks
molecular structures