Electronic structure and partial charge distribution of Doxorubicin in different molecular environments.

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim.

Afiliación

Poudel L; Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, MO 64110 (USA).
Wen AM; Department of Biomedical Engineering, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106 (USA).
French RH; Department of Radiology, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106 (USA).
Parsegian VA; Department of Materials Science and Engineering, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106 (USA).
Podgornik R; Department of Physics, University of Massachusetts, Amherst, Massachusetts 01003 (USA).
Steinmetz NF; Department of Physics, University of Massachusetts, Amherst, Massachusetts 01003 (USA).
Ching WY; Department of Theoretical Physics, J. Stefan Institut, SI-1000 Ljubljana (Slovenia).

Chemphyschem ; 16(7): 1451-60, 2015 May 18.

Article en En | MEDLINE | ID: mdl-25728554

Asunto(s)

ADN/química; Doxorrubicina/química; Electrones; Modelos Moleculares; Estructura Molecular; Teoría Cuántica

Palabras clave

DNA; ab initio calculations; electronic structure; intercalations; solvent effects

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: ADN / Doxorrubicina / Electrones Idioma: En Revista: Chemphyschem Asunto de la revista: BIOFISICA / QUIMICA Año: 2015 Tipo del documento: Article Pais de publicación: Alemania

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