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Understanding DNA under oxidative stress and sensitization: the role of molecular modeling

author

Elise Dumont

Antonio Monari

published in: Frontiers in Chemistry

date of publication: 2015

language: English

Cites articles 106

Date

Title

Authors

2015-06-02

Stress-induced DNA damage biomarkers: applications and limitations

Zacharenia Nikitaki, Alexandros G Georgakilas, Jean-Luc Ravanat
2015-05-09

Intercalation processes of copper complexes in DNA.

Juan Carlos García-Ramos, Fernando Cortés-Guzmán
2015-01-28

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

Elise Dumont, Antonio Monari, Daniel Roca-Sanjuán, Marco Garavelli, Xavier Assfeld, Meilani Wibowo
2015-02-06

Enhancing intersystem crossing in phenotiazinium dyes by intercalation into DNA

Juan J Nogueira, Markus Oppel
2015-01-01

Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations.

Javier Segarra-Martí, Ivan Rivalta, Elise Dumont, Artur Nenov, Marco Garavelli, Shaul Mukamel
2015-01-07

Excited-state hydrogen atom abstraction initiates the photochemistry of β-2'-deoxycytidine

Rafał Szabla, Jesus Campos, Robert Góra
2014-04-03

Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions
2014-11-28

UV signature mutations
2014-08-21

Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory

Antonio Monari, Xavier Assfeld
2014-04-04

Looking for Waldo: a potential thermodynamic signature to DNA damage
2014-02-24

Massive parallel-sequencing-based hydroxyl radical probing of RNA accessibility

Jeppe Vinther
2014-01-01

Lipid hydroperoxides as a source of singlet molecular oxygen

Sayuri Miyamoto, Paolo Di Mascio
2014-06-10

Conformational insights into the lesion and sequence effects for arylamine-induced translesion DNA synthesis: 19F NMR, surface plasmon resonance, and primer kinetic studies

Satyakam Patnaik
2014-12-16

Photophysics of acetophenone interacting with DNA: why the road to photosensitization is open

Elise Dumont, Nicolas Ferré, Antonio Monari, Miquel Huix-Rotllant
2014-11-07

Computational evidence for structural consequences of kiteplatin damage on DNA

Nicola Margiotta, Paride Papadia, Jamie Platts
2014-11-11

Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine.

Shina Caroline Lynn Kamerlin, Fernanda Duarte, Robert Vianello
2014-07-25

Effect of C5-Methylation of Cytosine on the Photoreactivity of DNA: A Joint Experimental and Computational Study of TCG Trinucleotides

Dimitra Markovitsi, Luciana Esposito, Roberto Improta, Thierry DOUKI
2014-05-21

Assessing the importance of proton transfer reactions in DNA

Denis Jacquemin, Jose Zuniga, Alberto Requena, José Pedro Cerón-Carrasco
2014-04-01

Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation

Antonino Lauria, Riccardo Bonsignore, Alessio Terenzi, Francesco Giannici, Anna Maria Almerico, Giampaolo Barone
2014-07-01

Exploring chemical reactivity of complex systems with path-based coordinates: role of the distance metric

Iñaki Tuñón
2014-12-31

Interaction of palmatine with DNA: an environmentally controlled phototherapy drug

Elise Dumont, Antonio Monari
2014-08-01

The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes

Giampaolo Barone
2013-06-27

An 'open' structure of the RecOR complex supports ssDNA binding within the core of the complex

François Dehez, Adam Round, Axel Bidon-Chanal, Joanna Timmins
2013-07-05

Toward an Automatic Determination of Enzymatic Reaction Mechanisms and Their Activation Free Energies

José Javier Ruiz-Pernía, Iñaki Tuñón
2013-05-26

Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates

Rafael García-Meseguer, Sergio Martí, Iñaki Tuñón, Vicent Moliner
2013-02-18

Multi-resolution simulation of biomolecular systems: a review of methodological issues

Sereina Riniker, Wilfred F van Gunsteren, Jozica Dolenc
2013-02-01

DNA base damage by reactive oxygen species, oxidizing agents, and UV radiation

Jean Cadet
2013-10-30

Structure, dynamics, and interactions of a C4'-oxidized abasic site in DNA: a concomitant strand scission reverses affinities

Tomáš Dršata, Elise Dumont, Chandan Patel
2013-11-01

Theoretical study of the photochemical generation of triplet acetophenone.

Nicolas Ferré, Didier Siri, Miquel Huix-Rotllant
2013-08-07

Electron-attachment-induced DNA damage: instantaneous strand breaks
2013

Electric field induced DNA damage: an open door for selective mutations

José Pedro Cerón-Carrasco, Denis Jacquemin
2013-04-15

A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects

Antonio Monari, Thibaud Etienne, Xavier Assfeld

Article - wd:Q26799860

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