Securing the future of research computing in the biosciences.

Improvements in technology often drive scientific discovery. Therefore, research requires sustained investment in the latest equipment and training for the researchers who are going to use it. Prioritising and administering infrastructure investment is challenging because future needs are difficult to predict.

Influence of spermine on DNA conformation in a molecular dynamics trajectory of d(CGCGAATTCGCG)(2): major groove binding by one spermine molecule delays the A-->B transition.

The effect of spermine on the A-DNA to B-DNA transition in d(CGCGAATTCGCG)(2) has been investigated by five A-start molecular dynamics simulations, using the Cornell et al. potential. In the absence of spermine an A-->B transition is initiated immediately and the DNA becomes equidistant from the A- and B-forms at 200ps.