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...

Descripción completa

Detalles Bibliográficos
Autores principales: Rademaker, Daniel T, van Geemen, Kevin J, Xue, Li C
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/PMC10397417/
https://www.ncbi.nlm.nih.gov/pubmed/37471594
http://dx.doi.org/10.1093/bioinformatics/btad444

Internet

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

Ejemplares similares