Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments.
Unke OT, Stöhr M, Ganscha S, Unterthiner T, Maennel H, Kashubin S, Ahlin D, Gastegger M, Medrano Sandonas L, Berryman JT, Tkatchenko A, Müller KR.
Unke OT, et al. Among authors: unterthiner t.
Sci Adv. 2024 Apr 5;10(14):eadn4397. doi: 10.1126/sciadv.adn4397. Epub 2024 Apr 5.
Sci Adv. 2024.
PMID: 38579003
Free article.