Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods

Debby D. Wang, Le Ou-Yang, Haoran Xie, Mengxu Zhu, Hong Yan

Research output: Contribution to journalArticlepeer-review

55 Citations (Scopus)

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Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science

Chemical Engineering