Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

BACKGROUND: Identifying druggable cavities on a protein surface is a crucial step in structure based drug design. The cavities have to present suitable size and shape, as well as appropriate chemical complementarity with ligands. RESULTS: We present a novel cavity prediction method that analyzes res...

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Detalhes bibliográficos
Publicado no:BMC Bioinformatics
Main Authors: Harigua-Souiai, Emna, Cortes-Ciriano, Isidro, Desdouits, Nathan, Malliavin, Thérèse E, Guizani, Ikram, Nilges, Michael, Blondel, Arnaud, Bouvier, Guillaume
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2015
Assuntos:
Methodology Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4381396/
https://ncbi.nlm.nih.gov/pubmed/25888251
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-015-0518-z
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