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BODIL: a molecular modeling environment for structure-function analysis and drug design
Authors:Jukka V Lehtonen  Dan-Johan Still  Ville-v Rantanen  Jan Ekholm  Dag Björklund  Zuhair Iftikhar  Mikko Huhtala  Susanna Repo  Antti Jussila  Jussi Jaakkola  Olli Pentikäinen  Tommi Nyrönen  Tiina Salminen  Mats Gyllenberg  Mark S Johnson
Institution:(1) Department of Biochemistry and Pharmacy, Åbo Akademi University, Tykistökatu 6A, Turku, FIN-20520, Finland;(2) Department of Mathematics, University of Turku, Matematiikan laitos, Turun yliopisto, FIN-20014, Finland;(3) CSC, the Finnish IT Center for Science, P.O. Box 405, Espoo, FIN-02101, Finland;(4) Department of Mathematics and Statistics, Rolf Nevanlinna Institute, University of Helsinki, FIN-00014, Finland
Abstract:BODIL is a molecular modeling environment geared to help the user to quickly identify key features of proteins critical to molecular recognition, especially (1) in drug discovery applications, and (2) to understand the structural basis for function. The program incorporates state-of-the-art graphics, sequence and structural alignment methods, among other capabilities needed in modern structure–function–drug target research. BODIL has a flexible design that allows on-the-fly incorporation of new modules, has intelligent memory management, and fast multi-view graphics. A beta version of BODIL and an accompanying tutorial are available at http://www.abo.fi/fak/mnf/bkf/research/johnson/bodil.html
Keywords:density docking  molecular visualization  sequence comparisons  structure comparison  structure modeling
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