Publications by authors named "Haritha Asha"

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Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization.
Haritha Asha, James A Green, Luciana Esposito, Fabrizio Santoro, Roberto Improta

Chirality· May 2023

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Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study.
Haritha Asha, James A Green, Luciana Esposito, Lara Martinez-Fernandez, Fabrizio Santoro

J Phys Chem B· December 2022

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Early steps of oxidative damage in DNA quadruplexes are position-dependent: Quantum mechanical and molecular dynamics analysis of human telomeric sequence containing ionized guanine.
Haritha Asha, Petr Stadlbauer, Lara Martínez-Fernández, Pavel Banáš, Jiří Šponer

Int J Biol Macromol· January 2022

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Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair.
James A Green, Martha Yaghoubi Jouybari, Haritha Asha, Fabrizio Santoro, Roberto Improta

J Chem Theory Comput· August 2021

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Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States.
Haritha Asha, James A Green, Lara Martinez-Fernandez, Luciana Esposito, Roberto Improta

Molecules· August 2021

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Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases.
James A Green, Haritha Asha, Fabrizio Santoro, Roberto Improta

J Chem Theory Comput· January 2021

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