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Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces
[Image: see text] Solvation and hydrophobicity play a key role in a variety of biological mechanisms. In substrate binding, but also in structure-based drug design, the thermodynamic properties of water molecules surrounding a given protein are of high interest. One of the main algorithms devised in...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7032847/ https://www.ncbi.nlm.nih.gov/pubmed/31589427 http://dx.doi.org/10.1021/acs.jctc.9b00742 |