The separation of the two DNA strands occurs in millionths of a second. Consequently, it is extremely difficult to study this phenomenon experimentally and researchers must rely on computational simulations. After four years of fine-tuning an effective physical model and massive use of the supercomputer Mare Nostrum, researchers at IRB Barcelona and the Barcelona Supercomputing Center (BSC) have managed to produce the first realistic simulation of DNA opening at high resolution. The researchers have studied a small DNA fragment, of 12 base pairs (the human genomes has about 3,000 million base pairs), and have obtained 10 million structural snapshots of how DNA unfolds.
In this process they have revealed the two main ways by which the natural folded structure move to an unfolded state. DNA holds the genetic information of living organisms and its double helical structure was discovered more than 50 years ago by Watson and Crick. DNA and the proteins that modify it are the most important therapeutic targets in several pathologies, and particularly in cancer. The work provides a detailed view of the mechanism through which one of the most crucial processes in DNA occurs, and opens up new prospects regarding the connection between physical properties, functionality and pharmacological effect. The final objective is to achieve that new breakthroughs turn DNA into a universal pharmacological target.
More information:
http://www.sciencedaily.com/releases/2010/05/100520093323.htm
More information:
http://www.sciencedaily.com/releases/2010/05/100520093323.htm