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Development of CHARMM Polarizable Force Field for Nucleic Acid Bases Based on the Classical Drude Oscillator Model

A polarizable force field for nucleic acid bases based on the classical Drude oscillator model is presented. Parameter optimization was performed to reproduce crystallographic geometries, crystal unit cell parameters, heats of sublimation, vibrational frequencies and assignments, dipole moments, mol...

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Bibliografski detalji
Glavni autori: Baker, Christopher M., Anisimov, Victor M., MacKerell, Alexander D.
Format: Artigo
Jezik:Inglês
Izdano: 2010
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3166616/
https://ncbi.nlm.nih.gov/pubmed/21166469
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp1092338
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