A three-layer ONIOM model for the outside binding of cationic porphyrins and nucleotide pair DNA

Journal of Molecular Modeling

Volumn 19, Issue 2, 2013, Pages 811-824

  Cárdenas Jirón, Gloria I ^a   Cortez Santibañez, Luis ^a  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

Cationic porphyrin; DNA; ONIOM; Outside binding

Indexed keywords

ADENINE; ADENINE NUCLEOTIDE; CYTOSINE; DNA; GUANINE; NUCLEOTIDE; PORPHYRIN; RIBOSE; SODIUM ION; SOLVENT; THYMINE; WATER;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GAS; HYDROGEN BOND; MOLECULAR MECHANICS; MOLECULE; PRIORITY JOURNAL; QUANTUM MECHANICS;

ADENINE; BASE PAIRING; BINDING SITES; CATIONS, MONOVALENT; CYTOSINE; DNA; GASES; GUANINE; MODELS, CHEMICAL; MODELS, MOLECULAR; PORPHYRINS; QUANTUM THEORY; SODIUM; SOLUTIONS; THERMODYNAMICS; THYMINE; WATER;

EID: 84877112699     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1597-7     Document Type: Article

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