Rapid atomic density methods for molecular shape characterization1

Authors: Mitchell J.C.1; Kerr R.; Ten Eyck L.F.

Source: Journal of Molecular Graphics and Modelling, Volume 19, Number 3, June 2001 , pp. 325-330(6)

Publisher: Elsevier

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

Language: English

Document Type: Research article

DOI: 10.1016/S1093-3263(00)00079-6

Affiliations: 1: *San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Dr., La Jolla, CA, USA

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