09 September 2009

Journal of Computer-Aided Molecular Design Special FBDD Issue

Our friends over at FBDD-Literature have already highlighted this, but it bears repeating that the entire August issue of J. Comp. Aid. Mol. Des. is devoted to FBDD. For aficionados of all things silicon, there are articles on computational chemistry applied to FBDD generally as well as on more specific topics such as MCSS, NovoBench, FTMap, and two papers on Glide (here and here).

But don’t be put off by the name of the journal: with 14 articles covering close to 200 pages, there is something here for almost everyone, even for those whose interest in computers ends at using them to read this blog! A brief editorial outlines the challenges of FBDD, and a longer introductory piece gives an overview of the field. Several articles focus largely on specific targets such as p38alpha, heparanase, and Eg5, while one is devoted to assessing druggability.

Finally, two articles address the important topic of designing fragment libraries, one from the perspective of big pharma (nicely summarized here), the other from biotech.