# How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms

> Research article (Current Opinion in Structural Biology, 2024) · cited 17× · AI/ML

**Wikidata**: [openalex:W4394865685](https://www.wikidata.org/wiki/openalex:W4394865685)  
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