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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Baker, Christopher M., Anisimov, Victor M., MacKerell, Alexander D.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2010
Gaiak:
Sarrera elektronikoa: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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