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Exploring accurate Poisson–Boltzmann methods for biomolecular simulations
Accurate and efficient treatment of electrostatics is a crucial step in computational analyses of biomolecular structures and dynamics. In this study, we have explored a second-order finite-difference numerical method to solve the widely used Poisson–Boltzmann equation for electrostatic analyses of...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3891588/ https://ncbi.nlm.nih.gov/pubmed/24443709 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.comptc.2013.09.021 |
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