Code
01P06110
Duration
01 October 2010 → 30 September 2013
Funding
Regional and community funding: Special Research Fund
Promotor
Research disciplines
-
Natural sciences
- Organic chemistry
- Theoretical and computational chemistry
- Other chemical sciences
Keywords
DNA-peptide crosslinking
molecular dynamics
DNA-DNA crosslinking
NMR simulation
molecular modelling
QMMM
Project description
Furan-modified oligonucleotides and oligopeptides are used in DNA-DNA and DNA-peptide covalent crosslinking. Formation of a site specific, permanent crosslink is of biological importance in the study of DNA repair and cancer treatment. Molecular dynamics and ab-inito quantum chemical (QMMM) calculations, together with NMR prediction will be used to explain and support the experimental work and guide the design of new modifications.