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

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

Published in: ICML (2022)

Keyphrases

protein structure prediction
protein structure
neural network
genetic algorithm
fine grained
amino acids
drug design
chemical reactions
molecular structures