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Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate
[Image: see text] Phosphate groups are commonly observed in biomolecules such as nucleic acids and lipids. Due to their highly charged and polarizable nature, modeling these compounds with classical force fields is challenging. Using quantum mechanical studies and liquid-phase simulations, the AMOEB...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4768686/ https://www.ncbi.nlm.nih.gov/pubmed/26574325 http://dx.doi.org/10.1021/acs.jctc.5b00562 |