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Towards Ligand Docking Including Explicit Interface Water Molecules
Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-detail accuracy including position and conformation the ligand but also conformational changes of the protein upon ligand binding. While successful in the majority of cases, docking algorithms includi...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3695863/ https://www.ncbi.nlm.nih.gov/pubmed/23840735 http://dx.doi.org/10.1371/journal.pone.0067536 |