MDSubSampler: a posteriori sampling of important protein conformations from biomolecular simulations

MOTIVATION: Molecular dynamics (MD) simulations have become routine tools for the study of protein dynamics and function. Thanks to faster GPU-based algorithms, atomistic and coarse-grained simulations are being used to explore biological functions over the microsecond timescale, yielding terabytes...

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Detalles Bibliográficos
Autores principales: Oues, Namir, Dantu, Sarath Chandra, Patel, Riktaben Jigarkumar, Pandini, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10348832/
https://www.ncbi.nlm.nih.gov/pubmed/37417958
http://dx.doi.org/10.1093/bioinformatics/btad427

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10348832/
https://www.ncbi.nlm.nih.gov/pubmed/37417958
http://dx.doi.org/10.1093/bioinformatics/btad427

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