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Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble
BACKGROUND: Modelling the ligand binding site of a protein is an important component of understanding protein-ligand interactions and is being actively studied. Even if the side chains are restricted to rotamers, a set of commonly-observed low-energy conformations, the exhaustive combinatorial searc...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3098062/ https://www.ncbi.nlm.nih.gov/pubmed/20478076 http://dx.doi.org/10.1186/1471-2105-11-256 |