Homology-Based Modelling of Targets for Rational Drug Design

Heather      Wieman; Kristin      Tøndel; Endre      Anderssen; Finn      Drablos

doi:10.2174/1389557043403639

Abstract

The current status in rational drug design using homology-based models is discussed, with focus on template selection, model building, model verification and strategies for drug design based on model structures. A novel approach for identification of unique binding site features from homology-based models, Protein Alpha Shape Similarity Analysis (PASSA) is described.

Keywords: homology model, drug design, template selection, model verification, protein alpha shape similarity analysis

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Mini-Reviews in Medicinal Chemistry

Title: Homology-Based Modelling of Targets for Rational Drug Design

Volume: 4 Issue: 7

Author(s): Heather Wieman, Kristin Tøndel, Endre Anderssen and Finn Drablos

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Keywords: homology model, drug design, template selection, model verification, protein alpha shape similarity analysis

Abstract: The current status in rational drug design using homology-based models is discussed, with focus on template selection, model building, model verification and strategies for drug design based on model structures. A novel approach for identification of unique binding site features from homology-based models, Protein Alpha Shape Similarity Analysis (PASSA) is described.

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Wieman Heather, Tøndel Kristin, Anderssen Endre and Drablos Finn, Homology-Based Modelling of Targets for Rational Drug Design, Mini-Reviews in Medicinal Chemistry 2004; 4 (7) . https://dx.doi.org/10.2174/1389557043403639