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Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
Development of accurate force field parameters for molecular ions in the context of a polarizable energy function based on the classical Drude oscillator is a crucial step towards an accurate polarizable model for modeling and simulations of biological macromolecules. Towards this goal we have under...
Gardado en:
| Publicado en: | J Chem Inf Model |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2018
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5975207/ https://ncbi.nlm.nih.gov/pubmed/29624370 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00132 |
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