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GradPose: a very fast and memory-efficient gradient descent-based tool for superimposing millions of protein structures from computational simulations
SUMMARY: Computational simulations like molecular dynamics and docking are providing crucial insights into the dynamics and interaction conformations of proteins, complementing experimental methods for determining protein structures. These methods often generate millions of protein conformations, ne...
Autores principales: | Rademaker, Daniel T, van Geemen, Kevin J, Xue, Li C |
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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/PMC10397417/ https://www.ncbi.nlm.nih.gov/pubmed/37471594 http://dx.doi.org/10.1093/bioinformatics/btad444 |
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