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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2023
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| Materias: | |
| 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 |