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Bioinformatics (Oxford, England), Vol. 21, No. 10. (15 May 2005), pp. 2347-2355, doi:10.1093/bioinformatics/bti337 Key: citeulike:205002
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A limited version of the software for the real spherical harmonics expansion of a set of points in PDB format is freely available upon request from the authors. Binding pocket comparisons and ligand prediction will be made available through the protein structure annotation pipeline Profunc (written by Roman Laskowski) which will be accessible from the EBI website shortly.
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