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Visual cavity analysis in molecular simulations

Molecular surfaces provide a useful mean for analyzing interactions between biomolecules; such as identification and characterization of ligand binding sites to a host macromolecule. We present a novel technique, which extracts potential binding sites, represented by cavities, and characterize them...

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Autori principali: Parulek, Julius, Turkay, Cagatay, Reuter, Nathalie, Viola, Ivan
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2013
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3980935/
https://ncbi.nlm.nih.gov/pubmed/24564409
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-14-S19-S4
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