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Updated: Aug 20, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
Déjà vu all over again: finding and analyzing protein structure similarities
Michael L Sierk1, Gerard J Kleywegt
1Department of Biochemistry and Molecular Genetics, University of Virginia, P.O. Box 800733, Charlottesville, VA 22908, USA. mls5w@virginia.edu
Abstract:
Structure comparison is a crucial aspect of structural biology today. The field of structure comparison is developing rapidly, with the development of new algorithms, similarity scores, and statistical scores. The predicted large increase of experimental structures and structural models made possible by high-throughput efforts means that structural comparison and searching of structural databases using automated methods will become increasingly common. This Ways & Means article is meant to guide the structural biologist in the basics of structural alignment, and to provide an overview of the available software tools. The main purpose is to encourage users to gain some understanding of the strengths and limitations of structural alignment, and to take these factors into account when interpreting the results of different programs.
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