Perspective of drug design with high-performance computing

Zhe Li, Hui Li, Kunqian Yu, Hai-Bin Luo
2021 National Science Review  
The representative applications, recent advances and possible future directions of computational drug design were summarized, aiming to accelerate the drug discovery with the assistance of the fast-developing high-performance computing.
doi:10.1093/nsr/nwab105 pmid:34992787 pmcid:PMC8692934 fatcat:birxtwxfwvgwjbwwmbwdd3jt5q