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TRIFORCE: Tessellated Semianalytical Solvent Exposed Surface Areas and Derivatives
[Image: see text] We present a new approach to the calculation of solvent-accessible surface areas of molecules with potential application to surface area based methods for determination of solvation free energies. As in traditional analytical and statistical approaches, this new algorithm, called T...
| 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/PMC4159216/ https://www.ncbi.nlm.nih.gov/pubmed/25221446 http://dx.doi.org/10.1021/ct5002818 |