Conformational control of TT dimerization in DNA conjugates. A molecular dynamics study

Journal of Physical Chemistry B

Volumn 114, Issue 15, 2010, Pages 5215-5221

  McCullagh, Martin ^a   Hariharan, Mahesh ^b   Lewis, Frederick D ^b   Markovitsi, Dimitra ^c   Douki, Thierry ^d   Schatz, George C ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH   (India)

^c CEA SACLAY   (France)

^d CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; ETHYLENE; GENES; MOLECULAR DYNAMICS; PARAFFINS; PHOTOEXCITATION;

CAS-SCF; CONFORMATIONAL CONTROL; CONICAL INTERSECTION; CONTEXT DEPENDENCES; DIHEDRAL ANGLES; DIMER STRUCTURE; DNA STRUCTURE; DOUBLE BONDS; ELECTRONIC STRUCTURE CALCULATIONS; GROUND-STATE SURFACE; LOW-LYING EXCITED STATE; PHOTODIMERIZATION; POTENTIAL SURFACES; THEORETICAL MODELING; THEORETICAL MODELS; YIELD PREDICTION;

DIMERIZATION;

EID: 77951136861     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp100983t     Document Type: Article

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