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Improving the Description of Salt Bridge Strength and Geometry in a Generalized Born Model
The Generalized Born (GB) solvent model is widely used in molecular dynamics simulations because it can be less computationally expensive and it samples conformational changes more efficiently than explicit solvent simulations. Meanwhile, great efforts have been made in the past to improve its preci...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2010
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3390179/ https://ncbi.nlm.nih.gov/pubmed/21168352 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.11.013 |
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