Rapid atomic density methods for molecular shape characterization1

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Keywords: atomic density; fast Fourier transform; molecular recognition; molecular shape; molecular surface; protein binding site; protein cavities; shape complementarity

Document Type: Research Article

DOI: http://dx.doi.org/10.1016/S1093-3263(00)00079-6

Affiliations: *San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Dr., La Jolla, CA, USA

Publication date: June 1, 2001

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