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National Academy of Sciences, Proceedings of the National Academy of Sciences, 39(106), p. 16622-16626, 2009

DOI: 10.1073/pnas.0906146106

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Fast screening of protein surfaces using geometric invariant fingerprints

Journal article published in 2009 by Shuangye Yin, Elizabeth A. Proctor ORCID, Alexey A. Lugovskoy, Nikolay V. Dokholyan
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

We develop a rapid and efficient method for the comparison of protein local surface similarities using geometric invariants (fingerprints). By combining fast fingerprint comparison with explicit alignment, we successfully screen the entire Protein Data Bank for proteins that possess local surface similarities. Our method is independent of sequence and fold similarities, and has potential application to protein structure annotation and protein-protein interface design.