A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects-Reference-Cited by-同舟云学术

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A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

Published:2013-04-15 Issue:17 Volume:117 Page:4973-4980
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Etienne Thibaud¹²³,Very Thibaut¹²,Perpète Eric A.³,Monari Antonio¹²,Assfeld Xavier¹²

Affiliation:

1. Université de Lorraine - Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes, BP 70239, 54506, Vandoeuvre-lès-Nancy

2. CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes, BP 70239, 54506, Vandoeuvre-lès-Nancy

3. Unité de Chimie Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, B-5000 Namur, Belgium

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp4017882

Reference84 articles.

1. Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+

2. Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex

3. Kinetically inert transition metal complexes that reversibly bind to DNA

4. [Ru(TAP)2(dppz)]2+: a DNA intercalating complex, which luminesces strongly in water and undergoes photo-induced proton-coupled electron transfer with guanosine-5′-monophosphate

5. Synthesis, characterization and DNA-binding properties of novel dipyridophenazine complex of ruthenium (II) : [Ru(IP)2(DPPZ)]2+

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