On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution

Author:

Milovanović Branislav1ORCID,Novak Jurica234,Etinski Mihajlo1ORCID,Domcke Wolfgang5ORCID,Došlić Nađa6ORCID

Affiliation:

1. University of Belgrade, Faculty of Physical Chemistry, Belgrade, Serbia

2. Department of Biotechnology, University of Rijeka, HR-51000 Rijeka, Croatia

3. Scientific and Educational Center “Biomedical Technologies” School of Medical Biology, South Ural State University, RU-454080, Chelyabinsk, Russia

4. Center for Artificial Intelligence and Cybersecurity, University of Rijeka, 51000 Rijeka, Croatia

5. Department of Chemistry, Technical University of Munich, Garching, Germany

6. Department of Physical Chemistry, Ruđer Bošković Institute, Zagreb, Croatia

Abstract

Nonadiabatic molecular dynamics study of stacked uracil-water clusters using the ADC(2) method confirmed low tendency of forming RNA intra-strand cyclobutane dimers while opposite behavior is found for inter-stand mutual orientation of uracils.

Funder

Alexander von Humboldt-Stiftung

Hrvatska Zaklada za Znanost

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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