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2009 Mar 1;25(5):621-7. doi: 10.1093/bioinformatics/btp036. Epub
2009 Jan 28.  Fragment-based identification of druggable 'hot
spots' of proteins using Fourier domain correlation techniques.
Author information    • 1Program in Bioinformatics, Boston
University, Boston, MA, USA.    The binding sites of proteins
generally contain smaller regions that provide major
contributions to the binding free energy and hence are the prime
targets in drug design. Screening libraries of fragment-sized
compounds by NMR or X-ray crystallography demonstrates that such
'hot spot' regions bind a large variety of small organic
molecules, and that a relatively high 'hit rate' is predictive
of target sites that are likely to bind drug-like ligands with
high affinity. Our goal is to determine the 'hot spots'
computationally rather than experimentally.   We have developed
the FTMAP algorithm that performs global search of the entire
protein surface for regions that bin