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KECSA-Movable Type Implicit Solvation Model (KMTISM)
[Image: see text] Computation of the solvation free energy for chemical and biological processes has long been of significant interest. The key challenges to effective solvation modeling center on the choice of potential function and configurational sampling. Herein, an energy sampling approach term...
| 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/PMC4325602/ https://www.ncbi.nlm.nih.gov/pubmed/25691832 http://dx.doi.org/10.1021/ct5007828 |