Superimpose: a 3D structural superposition server.

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.

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

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

doi

10.1093/nar/gkn285

subject

Has Abstract

pub_date

2008-07-01 00:00:00

pages

W47-54

issue

Web Server issue

eissn

0305-1048

issn

1362-4962

pii

gkn285

journal_volume

36

pub_type

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