Martinize2 and Vermouth provide a unified framework for molecular topology generation

Ongoing advances in force field and computer hardware development enable the use of molecular dynamics (MD) to simulate increasingly complex systems with the ultimate goal of reaching cellular complexity. At the same time, rational design by high-throughput (HT) simulations is another forefront of M...

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Manylion Llyfryddiaeth

Prif Awduron:	Peter C Kroon, Fabian Grünewald, Jonathan Barnoud, Marco van Tilburg, Chris Brasnett, Paulo CT Souza, Tsjerk A Wassenaar, Siewert J Marrink
Fformat:	Artigo
Iaith:	Inglês
Cyhoeddwyd:	eLife Sciences Publications Ltd 2025-11-01
Cyfres:	eLife
Pynciau:	Martini molecular dynamics coarse-graining
Mynediad Ar-lein:	https://elifesciences.org/articles/90627
Tagiau:	Ychwanegu Tag Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!