After my opening talk at the CDK workshop, Egon Willighagen gave an introduction on how to get started with the CDK. He uses the scripting environment Groovy to demonstrate things. Egon has prepared a LaTeX document with his teaching material as well as the code examples on at http://pele.farmbio.uu.se/groovy. Turns out that Groovy scripting is […]
I’m collecting some thoughts for my CDK workshop kick-off talk on Monday and I guess I’ll go for the boring regular version, with an introduction to CDK history, followed by some statistical figures and ending with an explanation of the format for the developers workshop on Tuesday afternoon. As anyone can read on our CDK […]
The Cheminformatics and Metabolism group at the European Bioinformatics Institute (EBI) in Hinxton, Cambridge, Uk, has an opening for a phd position. The EBI is one of four outstations of the European Molecular Biology Laboratory (EMBL) and is a great place to do research in chemistry, cheminformatics and drug discovery. In all of these areas, […]
I’ve just arrived at the ACS meeting in Salt Lake City. The trip was a real nuisance, 19 hours or so, and I always ask myself why I do this stuff.Still, after a fantastic breakfast in my even more fantastic hotel, the Grand America Hotel (review pending), and now being at the meeting, is is […]
I’m delighted to announce that the first open access journal of our field, the Journal of Cheminformatics, is now live and has published its first articles. Journal of Cheminformatics is a new open access journal from Chemistry Central publishing peer-reviewed research in all aspects of cheminformatics and molecular modelling. It is run by Editors-in-Chief David […]
As we learn from a rather poorly written article over at xconomy, “Biology has never really had a social-networking movement like open-source computing, where thousands of loosely-affiliated people around the world pool brainpower to make better software”. If you translate that into what was needed for biology (or chemistry) according to the xconomy author, it […]
For the national meeting of the German Chemical Society in Frankfurt, August 30 – September 2, 2009, I’m co-organising a symposium on Open Notebook Science and Open Drug Discovery. John Overington, Cameron Neylon and Egon Willighagen have already agreed to speak and we are looking for further interesting speakers. Being incredibly Open PuTTY SSH execute […]
Duan Lian, a colleague from the Laboratory of Molecular Modelling and Design in Shanghai, is keen on getting more cheminformatics functionality implemented in Javascript and I’m perfectly in line with his goals. He has posted some results at http://chemhack.com/mx-gwt/demo-molecule-structure-rendering, with more certainly to come.
The Chemistry-Information-Computer (CIC) division of the German Chemical Society announces the 4th German Conference on Chemoinformatics (22. CIC-Workshop) to be held in Goslar, Germany, November 09-11, 2008.
The Wednesday morning session is about to start. Paul Labute chairs it. Tom Blundell of Cambridge starts with “Exploring Biological and Chemical Space with High-Throughput Crystallographic, Biophysical and Computational Methods: The new Dimensions of Drug Discovery”. Tom starts with a view on a cell, stating its complicatedness or complexity. He points out the large number […]