Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

A Conversation on Definition of Life

(2012) Ramaswamy H. Sarma   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Theoretical investigation of the proton transfer mechanism in guanine-cytosine and adenine-thymine base pairs

(2012) Shiyan Xiao et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen-Bonded Double-Proton Transfer in Five Guanine–Cytosine Base Pairs after Hydrogen Atom Addition

(2012) Yuexia Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cisplatin cytotoxicity: a theoretical study of induced mutations

(2012) José P. Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium

(2012) Annia Galano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM study

(2012) José P. Cerón-Carrasco et al.   THEORETICAL CHEMISTRY ACCOUNTS

Influence of Mg2+ on the Guanine-Cytosine Tautomeric Equilibrium: Simulations of the Induced Intermolecular Proton Transfer

(2011) José P. Cerón-Carrasco et al.   CHEMPHYSCHEM

Electric Field-Driven Acid−Base Chemistry: Proton Transfer from Acid (HCl) to Base (NH3/H2O)

(2011) Zhong-Jun Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hydroxyl Radical (OH•) Reaction with Guanine in an Aqueous Environment: A DFT Study

(2011) Anil Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations

(2011) Julian Garrec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

(2011) Alya A. Arabi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combined effect of stacking and solvation on the spontaneous mutation in DNA

(2011) José P. Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Applications and validations of the Minnesota density functionals

(2010) Yan Zhao et al.   CHEMICAL PHYSICS LETTERS

Proton-Coupled Electron Transfer in DNA on Formation of Radiation-Produced Ion Radicals

(2010) Anil Kumar et al.   CHEMICAL REVIEWS

Hydroxyl Radical Reactions with Adenine: Reactant Complexes, Transition States, and Product Complexes

(2010) Qianyi Cheng et al.   CHEMISTRY-A EUROPEAN JOURNAL

A theoretical study of Ru(II) polypyridyl DNA intercalatorsStructure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine–cytosine base pairs

(2010) David Ambrosek et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Mutual Relationship between Stacking and Hydrogen Bonding in DNA. Theoretical Study of Guanine−Cytosine, Guanine−5-methylcytosine, and Their Dimers

(2010) Carles Acosta-Silva et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Vertical Ionization Potentials of Nucleobases in a Fully Solvated DNA Environment

(2010) Emilie Cauët et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks

(2009) Pierre-François Loos et al.   CHEMICAL PHYSICS LETTERS

Ab Initio Study of the Electron Transfer in an Ionized Stacked Complex of Guanines

(2009) Emilie Cauët et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intermolecular Proton Transfer in Microhydrated Guanine−Cytosine Base Pairs: a New Mechanism for Spontaneous Mutation in DNA

(2009) J. P. Cerón-Carrasco et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of Hydration on the Proton Transfer Mechanism in the Adenine−Thymine Base Pair

(2009) J. P. Cerón-Carrasco et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Influence of Hydration on Proton Transfer in the Guanine−Cytosine Radical Cation (G•+−C) Base Pair: A Density Functional Theory Study

(2009) Anil Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton Transfer in Guanine−Cytosine Radical Anion Embedded in B-Form DNA

(2009) Hsing-Yin Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Microhydration of 9-methylguanine:1-methylcytosinebase pair and its radical anion: a density functional theory study

(2009) Hsing-Yin Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers

(2008) Jiande Gu et al.   CHEMICAL PHYSICS LETTERS