# Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics

> Research article (PLoS ONE, 2022) · cited 12× · AI/ML

**Wikidata**: [openalex:W4224292546](https://www.wikidata.org/wiki/openalex:W4224292546)  
**Source**: https://4ort.xyz/entity/computational-prediction-of-potential-inhibitors-for-sars-cov-2-main-protease-based-on-machine-learning-docking-mm-pbsa-