Analyzing protein topology based on Laguerre tessellation of a pore-traversing water network

Given the tight relation between protein structure and function, we present a set of methods to analyze protein topology, implemented in the VLDP program, relying on Laguerre space partitions built from series of molecular dynamics snapshots. The Laguerre partition specifies inter-atomic contacts, f...

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Detalles Bibliográficos
Autores principales: Esque, Jérémy, Sansom, Mark S. P., Baaden, Marc, Oguey, Christophe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6131185/
https://www.ncbi.nlm.nih.gov/pubmed/30202114
http://dx.doi.org/10.1038/s41598-018-31422-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6131185/
https://www.ncbi.nlm.nih.gov/pubmed/30202114
http://dx.doi.org/10.1038/s41598-018-31422-5

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