title: 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.
authors.affiliation: Charité-Universitätsmedizin Berlin, Structural Bioinformatics Group, Arnimallee 22, 14195 Berlin, Germany.
authors.forename: Raphael A
authors.initials: RA
authors.lastname: Bauer
authors.forename: Philip E
authors.initials: PE
authors.lastname: Bourne
authors.forename: Arno
authors.initials: A
authors.lastname: Formella
authors.forename: Cornelius
authors.initials: C
authors.lastname: Frömmel
authors.forename: Christoph
authors.initials: C
authors.lastname: Gille
authors.forename: Andrean
authors.initials: A
authors.lastname: Goede
authors.forename: Aysam
authors.initials: A
authors.lastname: Guerler
authors.forename: Andreas
authors.initials: A
authors.lastname: Hoppe
authors.forename: Ernst-Walter
authors.initials: EW
authors.lastname: Knapp
authors.forename: Thorsten
authors.initials: T
authors.lastname: Pöschel
authors.forename: Burghardt
authors.initials: B
authors.lastname: Wittig
authors.forename: Valentin
authors.initials: V
authors.lastname: Ziegler
authors.forename: Robert
authors.initials: R
authors.lastname: Preissner
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D016208:Databases, Factual; D020407:Internet; D008958:Models, Molecular; D008968:Molecular Conformation; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D012984:Software; D040681:Structural Homology, Protein
chemical_list: D004364:Pharmaceutical Preparations; D011506:Proteins