The ChEMBL-og

On April 30th 2014 the University of Strathclyde will host a seminar on Allosteric Drug Design organised by the smsdrug.net collaboration. The goal of the seminar is to bring together academic and industrial researchers with an interest in allosteric drug design and development with a view to identifying future collaborative and funding opportunities. The seminar consists of a series of three talks by : Dr. Gerard JP van Westen (EMBL-EBI ; ChEMBL), Prof. Dr. Leonardo Scapozza (University of Geneva) and Dr. Laurent Galibert (Alpine Institute for Drug Discovery). The talks will cover various of drug design in relation to allosteric drug targets. Talks are aimed at a broad audience. To register and for further information please go to www.engage.strath.ac.uk/event/125/

I have an interesting little conformational analysis/transition-state problem, that is beyond my zone of competence (no cheeky comments!). It's a really interesting little research problem related to 'click' chemistry - and is probably about a weeks work to someone who knows what they are doing. It's a problem involving conformational analysis for some ~12 heavy atom (CHNO only, no exotics) systems, and then some transition state analysis. To me, it's the sort of thing that needs some MM conformational analysis, followed by MO calculations, and then some thinking through the stability of ground state and transition state forms. Sorry I can't give explicit details here, but it is a cool idea, and if we can do something good, it will be a good publication (which of course, you would be a co-author on :) ). So, if you're interested, get in touch ....