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Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly
Predicting solvation free energies and describing the complex water behavior that plays an important role in essentially all biological processes is a major challenge from the computational standpoint. While an atomistic, explicit description of the solvent can turn out to be too expensive in large...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5816062/ https://www.ncbi.nlm.nih.gov/pubmed/29484300 http://dx.doi.org/10.3389/fmolb.2018.00013 |