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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...
Enregistré dans:
| Publié dans: | Sci Rep |
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| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group UK
2018
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6131185/ https://ncbi.nlm.nih.gov/pubmed/30202114 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-31422-5 |
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