Solvent reorganization energies in A-DNA, B-DNA, and rhodamine 6G-DNA complexes from molecular dynamics simulations with a polarizable force field

Journal of Physical Chemistry B

Volumn 113, Issue 13, 2009, Pages 4425-4434

  Vladimirov, Egor ^a,b   Ivanova, Anela ^a,b   Rösch, Notker ^a,b  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; DYNAMICS; ELECTROMAGNETIC WAVE POLARIZATION; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; NUCLEIC ACIDS; POSITIVE IONS; SOLVENTS;

DNA COMPLEXES; DNA DUPLEXES; DONOR ACCEPTORS; EFFECTIVE PARAMETERS; ELECTRON TRANSFERS; ELECTRONIC POLARIZATIONS; ET PROCESS; EXPERIMENTAL DATUM; FORCE FIELDS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR GROUPS; OPTICAL DIELECTRIC CONSTANTS; POLARIZABLE FORCE FIELDS; POLARIZABLE WATER MODELS; POSITIVELY CHARGED; RELATED SYSTEMS; REORGANIZATION ENERGIES; RHODAMINE 6G; SCALING FACTORS; SOLVENT REORGANIZATION ENERGIES;

GENES;

EID: 65249144636     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809774q     Document Type: Article

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