Perspective of drug design with high-performance computing

Authors: Zhe Li, Hui Li, Kunqian Yu, Hai-Bin Luo

Published: 2021-06-14

DOI: 10.1093/nsr/nwab105

Source: Full article

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Abstract

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.