Using Open Data to Rapidly Benchmark Biomolecular Simulations: Phospholipid Conformational Dynamics

[Image: see text] Molecular dynamics (MD) simulations are widely used to monitor time-resolved motions of biomacromolecules, although it often remains unknown how closely the conformational dynamics correspond to those occurring in real life. Here, we used a large set of open-access MD trajectories...

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Detalles Bibliográficos
Autores principales: Antila, Hanne S., M. Ferreira, Tiago, Ollila, O. H. Samuli, Miettinen, Markus S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7903423/
https://www.ncbi.nlm.nih.gov/pubmed/33496579
http://dx.doi.org/10.1021/acs.jcim.0c01299

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7903423/
https://www.ncbi.nlm.nih.gov/pubmed/33496579
http://dx.doi.org/10.1021/acs.jcim.0c01299

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