New Year, New Inspiration
2008 already! There's only been a couple of weeks of 2008 so far, but I feel like I've already managed to get a lot done. The multiscale review chapter is now finished and with our editor, so we met the deadline and it will appear in this year's Royal Society of Chemistry special periodical review. Biased as I am, I think that it is quite a nice review. It covers developments from 2005-2007 in biomolecular simulation from quantum methods up to continuum methods, in particular methods that involve the combination of at least two different levels of modelling (e.g. QM/MM, MM/CG or atomistic/continuum). It is a very big review (around 50 pages, ~240 references), and, while it was a lot of work, I now have quite a good handle on what is current in biomolecular modelling.
In other news, our J Chem Phys paper has now been published (see http://link.aip.org/link/?JCP/128/014109). Once I finished this blog post I'll create the references page. JCP are very kind and let authors publish the paper on personal websites, so if you are interested in reading this paper then please download it from JCP using the above link, or, if you don't have access, then download it from me on the references page (once I've written it!).
The references page will also contain a copy of the talk that I gave at the CCPB conference last week. The conference was brilliant - very well organised, a good crowd, fun atmosphere and some pretty decent science. It helped that it was held at Bristol Zoo, which we were able to wander around whenever we wished (I think that other conferences should also be held at entertainment venues, if possible!). I was able to catch up with lots of old friends, and met some new people as well (a warm hello to you all - including you Nicolas - it was nice to hear that you are reading this :-). The talk presented my first results of using Sire on a protein system (neuraminidase). There's still more coding to do before I am happy publishing any protein work using Sire, but it is now getting tantalisingly close...
* Updated - the publications page can be found either via the menu link on the left, or by clicking here.
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