Professor
School of Basic Medical Sciences
Lanzhou University
Lanzhou 730000, Gansu, China
Primary Email:  baiqf@lzu.edu.cn 

Secondary Email:  molaical@yeah.net

 

1) Artificial intelligence for drug design including deep learning, machine learning, etc
2) Software development for drug design
3) Molecular dynamics simulations
4) Studying the biological mechanism of proteins and ligands by molecular dynamics simulations, machine learning and deep learning methods, QM/MM, etc
5) Bioinformatics, cheminformatics, biomedical informatics, and computational biology
6) Drug design of kinases, G protein-coupled receptors, and so on

 

[3]. Bai, Q.*, Liu, S., Tian, Y., Xu, T.*, Banegas-Luna, A. J., Pérez-Sánchez, H.*, et al., Application advances of deep learning methods for de novo drug design and molecular dynamics simulation. WIREs Computational Molecular Science, 2021;e1581. 

[2]. Bai, Q.*, Ma, J., Liu, S., Xu, T., Banegas-Luna, A. J., Pérez-Sánchez, H.*, et al., WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm. Computational and Structural Biotechnology Journal, 19, 3573-3579 (2021). 

[1]. Bai, Q.*, et al., MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. Briefings in bioinformatics 2021, 22, bbaa161.

https://doi.org/10.1093/bib/bbaa161