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Explicit solvent models in protein pKa calculations.
Continuum methods for calculation of protein electrostatics treat buried and ordered water molecules by one of two approximations; either the dielectric constant of regions containing ordered water molecules is equal to the bulk solvent dielectric constant, or it is equal to the protein dielectric c...
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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
1996
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1233465/ https://ncbi.nlm.nih.gov/pubmed/8804597 |
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