Libraries fragment-based assembly

Brewer, M., Ichihara, O., Kirchhoff, C., Schade, M., Whittaker, M. (2008) Assembling a fragment library. Fragment-Based Drug Discovery A Practical Approach, in (Zartler, E., Shapiro, M. J. eds.), pp. 39-62. 

Fragment-based ring-linker-based assembly of scaffold libraries... 

The TAE/RECON method, developed by Breneman and co-workers based on Bader s quantum theory of Atoms In Molecules (AIM). The TAB method of molecular electron density reconstruction utilizes a library of integrated atomic basins , as defined by the AIM theory, to rapidly reconstruct representations of molecular electron density distributions and van der Waals electronic surface properties. RECON is capable of rapidly generating 6-31-I-G level electron densities and electronic properties of large molecules, proteins or molecular databases, using TAB reconstruction. A library of atomic charge density fragments has been assembled in a form that allows for the rapid retrieval of the fragments, followed by rapid molecular assembly. Additional details of the method are described elsewhere. ... 

The approach taken by the private Celera group is somewhat different. They bypass the use of BAG libraries of long DNA pieces. Instead they break up the entire genome info fragments only 2000 to 10,000 nt long and sequence each of these, in chunks of up to about 700 bases (the resolution limit of the instruments). If we have 3 billion bases to worry about, this means a lot of pieces to sort out and assemble in the proper order (actually, only a portion of those are sorted, but it is still a lot). Powerful computers do the sorting to put the puzzle pieces together. 

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