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Speed of Conformational Change: Comparing Explicit and Implicit Solvent Molecular Dynamics Simulations
Adequate sampling of conformation space remains challenging in atomistic simulations, especially if the solvent is treated explicitly. Implicit-solvent simulations can speed up conformational sampling significantly. We compare the speed of conformational sampling between two commonly used methods of...
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| Publicado no: | Biophys J |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4375717/ https://ncbi.nlm.nih.gov/pubmed/25762327 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2014.12.047 |
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