MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

• Published in: Briefings in bioinformatics Vol. 22; no. 3
• Main Authors: Bai, Qifeng, Tan, Shuoyan, Xu, Tingyang, Liu, Huanxiang, Huang, Junzhou, Yao, Xiaojun
• Format: Journal Article
• Language: English
• Published: Oxford University Press 20.05.2021
• Subjects: Problem Solving Protocol

Deep learning is an important branch of artificial intelligence that has been successfully applied into medicine and two-dimensional ligand design. The three-dimensional (3D) ligand generation in the 3D pocket of protein target is an interesting and challenging issue for drug design by deep learning...