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Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites
Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential dru...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3291545/ https://www.ncbi.nlm.nih.gov/pubmed/22396746 http://dx.doi.org/10.1371/journal.pone.0032036 |