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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...
Autores principales: | Parulek, Julius, Turkay, Cagatay, Reuter, Nathalie, Viola, Ivan |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3980935/ https://www.ncbi.nlm.nih.gov/pubmed/24564409 http://dx.doi.org/10.1186/1471-2105-14-S19-S4 |
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