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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...
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| Опубликовано в: : | J Chem Theory Comput |
|---|---|
| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American
Chemical Society
2014
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4325602/ https://ncbi.nlm.nih.gov/pubmed/25691832 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5007828 |
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