Fingerprint-based structure retrieval using electron density

Shuangye Yin, Nikolay Dokholyan

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy.

Original languageEnglish (US)
Pages (from-to)1002-1009
Number of pages8
JournalProteins: Structure, Function and Bioinformatics
Volume79
Issue number3
DOIs
StatePublished - Mar 1 2011

Fingerprint

Dermatoglyphics
Carrier concentration
Electrons
Cryoelectron Microscopy
Electron microscopy
Protein Databases
Proteins
Databases

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Structural Biology
  • Molecular Biology

Cite this

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Fingerprint-based structure retrieval using electron density. / Yin, Shuangye; Dokholyan, Nikolay.

In: Proteins: Structure, Function and Bioinformatics, Vol. 79, No. 3, 01.03.2011, p. 1002-1009.

Research output: Contribution to journalArticle

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