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Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins
BACKGROUND: Docking large ligands, and especially peptides, to protein receptors is still considered a challenge in computational structural biology. Besides the issue of accurately scoring the binding modes of a protein-ligand complex produced by a molecular docking tool, the conformational samplin...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6729087/ https://www.ncbi.nlm.nih.gov/pubmed/31488048 http://dx.doi.org/10.1186/s12860-019-0218-z |