IMR Press / FBL / Volume 14 / Issue 7 / DOI: 10.2741/3398

Frontiers in Bioscience-Landmark (FBL) is published by IMR Press from Volume 26 Issue 5 (2021). Previous articles were published by another publisher on a subscription basis, and they are hosted by IMR Press on imrpress.com as a courtesy and upon agreement with Frontiers in Bioscience.

Open Access Article
Molecular visualization in the rational drug design process
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1 Tripos International, 1699 South Hanley Road, St. Louis, MO 63144-2319, USA, current address: Chemical Computing Group Inc., 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec, H3A 2R7, Canada
2 Intervet Innovation GmbH, BioChemInfomatics, Zur Propstei, 55270 Schwabenheim, Germany
3 Department of Chemistry, Darmstadt University of Technology and MOLCAD GmbH, Petersenstr. 20, 64287 Darmstadt, Germany
4 Fachbereich Chemie, Universitat Konstanz, 78457 Konstanz, Germany
Academic Editor:Dirk Zahn
Front. Biosci. (Landmark Ed) 2009, 14(7), 2559–2583; https://doi.org/10.2741/3398
Published: 1 January 2009
(This article belongs to the Special Issue Atomistic simulations in biosciences: models and methods)
Abstract

The visualization of molecular scenarios on an atomic level can help to interpret experimental and theoretical findings. This is demonstrated in this review article with the specific field of drug design. State-of-the-art visualization techniques are described and applied to the different stages of the rational design process. Numerous examples from the literature, in which visualization was used as a major tool in the data analysis and interpretation, are provided to show that images are not only useful for drawing the attention of the reader to a specific paper in a scientific journal.

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