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AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids
The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence and electrostatic parameters were determined from high-level quantum mechanical data, including structures, conformational energy and electrostatic potentials, of nucleotide model compounds. Previously derive...
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| Veröffentlicht in: | J Chem Theory Comput |
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| Hauptverfasser: | , , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2018
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5893433/ https://ncbi.nlm.nih.gov/pubmed/29438622 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b01169 |
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