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Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives
In this work, we report the development of Drude polarizable force-field parameters for the carboxylate and N-acetyl amine derivatives, extending the functionality of existing Drude polarizable carbohydrate force field. The force field parameters have been developed in a hierarchical manner, reprodu...
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| Gepubliceerd in: | J Chem Theory Comput |
|---|---|
| Hoofdauteurs: | , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2019
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6852669/ https://ncbi.nlm.nih.gov/pubmed/31411469 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00327 |
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