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Authors: Mengxu Zhu

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Journal Article

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

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Debby D Wang and others

Briefings in Bioinformatics, Volume 22, Issue 3, May 2021, bbaa107, https://doi.org/10.1093/bib/bbaa107

Published: 26 June 2020

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Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions