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Analysis of Factors Influencing Hydration Site Prediction Based on Molecular Dynamics Simulations
[Image: see text] Water contributes significantly to the binding of small molecules to proteins in biochemical systems. Molecular dynamics (MD) simulation based programs such as WaterMap and WATsite have been used to probe the locations and thermodynamic properties of hydration sites at the surface...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4210176/ https://www.ncbi.nlm.nih.gov/pubmed/25252619 http://dx.doi.org/10.1021/ci500426q |