Publications

Google scholar seems to do a fairly good job of listing my publications. My papers also eventually show up on the ResearcherID service, which provides various official measurements of my importance.

This page is intended to give a more informal sampling of my work, in no particular order. It is image-heavy, so I have to say sorry if you are on an expensive connection.


ILQINS spectra and structure Computer simulation can be used to `fill in the gaps' when experimental data is not completely explicit. The example figure shows some work to characterise the aggregation of ILQINS peptide (a digestion fragment of Hen's egg white lysozyme or "HEWL"). The spectra were measured using X-ray scattering by Nick Reynolds using the Australian Synchrotron. The structure is a guess made with the aid of MD simulations, which approximately reproduces the measured spectra. Hopefully as computer power becomes more freely available I will be able to begin using more systematic methods of structure determination, but for the moment this aspect of my work contains more art than science.
Right and Left-Handed DNA helices DNA in high salt can switch helicity from right to left (B to Z). I am quite happy that Tanja and I were able to make the first accurate calculation of the concentration of salt needed to do this. I have some slides for a talk I gave, which might serve as an easy-reading introduction to the free energy method I used.
colorful image of a fibril structure On the right is a journal cover from some of my PhD work. The image should hyperlink to the appropriate paper.
colorful image of a fibril structure This figure illustrates the probability of a rare `jamming' event in a simple model of directed transport. Using S-PRES it was possible to measure events occuring at ridiculously low probabilities with negligible sampling error.

polymorphic packings of the gnnqqny peptide

This figure illustrates polymorphic packings of the GNNQQNY peptide. Even for such a small molecule there are many thermodynamically credible polymorphs.

symmetry effects in amyloid aggregation

This figure illustrates the importance of symmetry in peptide aggregation.

surfaces properties of polyalanine aggregates

This figure shows the interplay between the surface structures of polymorphs of different symmetries and their mesoscale morphology.

Stay tuned for more science excitement!