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

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

doi:10.1007/s10822-004-3752-4

PubMed · 15663001

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

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

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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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Algorithms Computer Graphics Computer Simulation Drug Design Models, Molecular Protein Conformation Sequence Alignment Software Static Electricity Structure-Activity Relationship Journal Article Research Support, Non-U.S. Gov't

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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. 2004. BODIL: a molecular modeling environment for structure-function analysis and drug design.. https://doi.org/10.1007/s10822-004-3752-4

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