Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 38579003.
- Also identified by DOI 10.1126/sciadv.adn4397 and PMC identifier 11809612.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
The GEMS method enables molecular dynamics simulations of large heterogeneous systems at ab initio quality.