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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4381396/ https://www.ncbi.nlm.nih.gov/pubmed/25888251 http://dx.doi.org/10.1186/s12859-015-0518-z |