Project

Guided design of functional oligonucleotides and oligopeptides for biomolecular crosslinking

Code

01P06110

Duration

01 October 2010 → 30 September 2013

Funding

Regional and community funding: Special Research Fund

Promotor

Veronique Van Speybroeck

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.