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The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins
Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in...
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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/PMC3806652/ https://ncbi.nlm.nih.gov/pubmed/24163642 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4003702 |
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