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ValLigURL: a server for ligand-structure comparison and validation
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structural Molecular Biology.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structural Molecular Biology.
2007 (English)In: Acta Crystallographica Section D: Biological Crystallography, ISSN 0907-4449, E-ISSN 1399-0047, Vol. 63, 935-938 p.Article in journal (Refereed) Published
Abstract [en]

A new web-based tool called ValLigURL is described. It can be used by practising crystallographers to validate the geometry of a ligand and to compare the conformation of a ligand with all instances of that ligand in the structural database (wwPDB). In addition, it can be used by structural bioinformaticians to survey the quality or conformational diversity of any ligand across the entire structural database. The server is freely accessible at the URL http://eds.bmc.uu.se/eds/valligurl.php.

Place, publisher, year, edition, pages
2007. Vol. 63, 935-938 p.
Keyword [en]
Computational Biology/*methods, Databases; Factual, Internet, Ligands, Models; Molecular, Molecular Conformation, Mycobacterium tuberculosis/chemistry, NADP/chemistry, Reproducibility of Results
National Category
Biological Sciences
Identifiers
URN: urn:nbn:se:uu:diva-13666DOI: 10.1107/S090744490703315XISI: 000248078400011PubMedID: 17642521OAI: oai:DiVA.org:uu-13666DiVA: diva2:41436
Available from: 2008-06-05 Created: 2008-06-05 Last updated: 2017-12-11Bibliographically approved

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Kleywegt, Gerard J.Harris, Mark R.

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