Superimpose: a 3D structural superposition server.

Bauer RA, Bourne PE, Formella A, Frömmel C, Gille C, Goede A, Guerler A, Hoppe A, Knapp EW, Pöschel T, Wittig B, Ziegler V, Preissner R (2008)

Publication Language: English

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2008

Journal

Nucleic Acids Research Oxford University Press

Book Volume: 36

DOI: 10.1093/nar/gkn285

Abstract

The Superimposé webserver performs structural similarity searches with a preference towards 3D structure-based methods. Similarities can be detected between small molecules (e.g. drugs), parts of large structures (e.g. binding sites of proteins) and entire proteins. For this purpose, a number of algorithms were implemented and various databases are provided. Superimposé assists the user regarding the selection of a suitable combination of algorithm and database. After the computation on our server infrastructure, a visual assessment of the results is provided. The structure-based in silico screening for similar drug-like compounds enables the detection of scaffold-hoppers with putatively similar effects. The possibility to find similar binding sites can be of special interest in the functional analysis of proteins. The search for structurally similar proteins allows the detection of similar folds with different backbone topology. The Superimposé server is available at: http://bioinformatics.charite.de/superimpose.

Authors with CRIS profile

Thorsten Pöschel Lehrstuhl für Multiscale Simulation of Particulate Systems

Involved external institutions

Charité - Universitätsmedizin Berlin DE Germany (DE) University of California, San Diego US United States (USA) (US) University of Vigo / Universidade de Vigo ES Spain (ES) Georg-August-Universität Göttingen DE Germany (DE) Freie Universität Berlin DE Germany (DE) Humboldt-Universität zu Berlin DE Germany (DE)

How to cite

APA:

Bauer, R.A., Bourne, P.E., Formella, A., Frömmel, C., Gille, C., Goede, A.,... Preissner, R. (2008). Superimpose: a 3D structural superposition server. Nucleic Acids Research, 36. https://doi.org/10.1093/nar/gkn285

MLA:

Bauer, Raphael A., et al. "Superimpose: a 3D structural superposition server." Nucleic Acids Research 36 (2008).

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