Metal complex-DNA binding: Insights from molecular dynamics and DFT/MM calculations

Journal of Inorganic Biochemistry

Volumn 124, Issue , 2013, Pages 63-69

  Spinello, Angelo ^a   Terenzi, Alessio ^a   Barone, Giampaolo ^a,b  

^a UNIVERSITY OF PALERMO   (Italy)

^b Istituto EuroMediterraneo di Scienza e Tecnologia   (Italy)

Author keywords

Computational chemistry; Copper; DFT; DNA; MD; QM MM

Indexed keywords

COORDINATION COMPOUND; COPPER COMPLEX; DNA BASE; METAL COMPLEX;

ARTICLE; DENSITY FUNCTIONAL THEORY; DNA BINDING; DNA CONFORMATION; DNA SEQUENCE; ENTHALPY; ENTROPY; HYDROGEN BOND; INTERACTIONS WITH DNA; METAL COMPLEX DNA BINDING; MOLECULAR DYNAMICS;

COPPER; DNA; ENTROPY; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION;

EID: 84876183112     PISSN: 01620134     EISSN: 18733344     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2013.03.010     Document Type: Article

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