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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...
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| Veröffentlicht in: | Front Mol Biosci |
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| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Frontiers Media S.A.
2018
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5816062/ https://ncbi.nlm.nih.gov/pubmed/29484300 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2018.00013 |
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