Related Experiment Video
Updated: Jun 3, 2026

Advanced Confocal Microscopy Techniques to Study Protein-protein Interactions and Kinetics at DNA Lesions
Published on: November 12, 2017
Intermolecular interactions in photodamaged DNA from density functional theory symmetry-adapted perturbation theory
Keyarash Sadeghian1, Marco Bocola, Martin Schütz
1Institute of Physical and Theoretical Chemistry, University of Regensburg, Universitätsstrasse 31, 93040 Regensburg, Germany.
Abstract:
The intermolecular interactions of the photodamaged cyclobutane pyrimidine dimer (CPD) lesion with adjacent nucleobases in the native intrahelical DNA double strand are investigated at the level of density functional theory symmetry-adapted perturbation theory (DFT-SAPT) and compared to the original (or repaired) case with pyrimidines (TpT) instead of CPD. The CPD aggregation is on average destabilized by about 6 kcal mol(-1) relative to that involving TpT. The effect of destabilization is asymmetric, that is, it involves a single H-bonding (Watson-Crick (WC) type) base-pair interaction.
More Related Videos
Related Concept Videos
Van der Waals Interactions
Fixing Double-strand Breaks
Overview of DNA Repair
Chemically...
Intermolecular Forces
MO Theory and Covalent Bonding
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

