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

> Research article (Briefings in Bioinformatics, 2020) · cited 71× · AI/ML

**Wikidata**: [openalex:W3037203467](https://www.wikidata.org/wiki/openalex:W3037203467)  
**Source**: https://4ort.xyz/entity/computationally-predicting-binding-affinity-in-proteinligand-complexes-free-energy-based-simulations-and-machine-learnin