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

Jukka V Lehtonen1, Dan-Johan Still, Ville-V Rantanen

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

Journal of Computer-Aided Molecular Design
|January 25, 2005
PubMed
Summary

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BODIL is a molecular modeling environment for identifying protein features crucial for molecular recognition and understanding protein structure-function relationships. This tool aids drug discovery and structure-function-drug target research with advanced graphics and alignment methods.

Area of Science:

  • Computational biology
  • Structural biology
  • Drug discovery

Background:

  • Understanding protein structure-function relationships is vital for drug discovery.
  • Identifying key protein features for molecular recognition requires specialized tools.

Purpose of the Study:

  • To introduce BODIL, a molecular modeling environment.
  • To facilitate the identification of protein features critical for molecular recognition.
  • To aid in understanding the structural basis of protein function.

Main Methods:

  • Utilizes state-of-the-art graphics.
  • Incorporates sequence and structural alignment methods.
  • Features a flexible design for module incorporation, intelligent memory management, and fast multi-view graphics.

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Main Results:

  • BODIL enables rapid identification of key protein features.
  • The environment supports modern structure-function-drug target research.
  • A beta version with a tutorial is available for user access.

Conclusions:

  • BODIL is a valuable tool for molecular recognition studies.
  • The software supports drug discovery and understanding protein function.
  • BODIL's design facilitates efficient and flexible research in computational and structural biology.