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BODIL: a molecular modeling environment for structure-function analysis and drug design

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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

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Authors and Affiliations

  1. Department of Biochemistry and Pharmacy, Åbo Akademi University, Tykistökatu 6A, Turku, FIN-20520, Finland

    Jukka V. Lehtonen, Dan-Johan Still, Ville-v. Rantanen, Jan Ekholm, Dag Björklund, Zuhair Iftikhar, Mikko Huhtala, Susanna Repo, Olli Pentikäinen, Tiina Salminen & Mark S. Johnson

  2. Department of Mathematics, University of Turku, Matematiikan laitos, Turun yliopisto, FIN-20014, Finland

    Antti Jussila, Jussi Jaakkola & Mats Gyllenberg

  3. CSC, the Finnish IT Center for Science, P.O. Box 405, Espoo, FIN-02101, Finland

    Tommi Nyrönen

  4. Department of Mathematics and Statistics, Rolf Nevanlinna Institute, University of Helsinki, FIN-00014, Finland

    Mats Gyllenberg

Authors
  1. Jukka V. Lehtonen
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  2. Dan-Johan Still
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  3. Ville-v. Rantanen
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  4. Jan Ekholm
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  8. Susanna Repo
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  14. Mats Gyllenberg
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  15. Mark S. Johnson
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Lehtonen, J.V., Still, DJ., Rantanen, Vv. et al. BODIL: a molecular modeling environment for structure-function analysis and drug design. J Comput Aided Mol Des 18, 401–419 (2004). https://doi.org/10.1007/s10822-004-3752-4

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  • DOI: https://doi.org/10.1007/s10822-004-3752-4

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