Visualization of Molecules with Positional Uncertainty

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dc.contributor.authorRheingans, Pennyen_US
dc.contributor.authorJoshi, Shrikanten_US
dc.contributor.editorGröller, E., Löffelmann, H., Ribarsky, W.en_US
dc.date.accessioned2015-11-16T13:39:49Z
dc.date.available2015-11-16T13:39:49Z
dc.date.issued1999en_US
dc.description.abstractDesigning new and better chemotherapeutic wmpounds requires an understanding of the mechanism by which the drugs exert their biological effects. This involves consideration of the geometry of the active site, determination of the geometry of the drug, and analysis of the fit between them. This problem of dr ug-suhstrate fit . often called the docking problem, can he greatly in fluenced by uncertainty in the position of drug side chains. Tradit ional molecular graphics techniques fail to capture the dist ribution oflikely atom positions. This paper describes a range of tedmiques for showing atom positions as probability distributions that more completely describe parameters which determine fit.en_US
dc.description.sectionheadersPapersen_US
dc.description.seriesinformationVisSym99: Joint Eurographics - IEEE TCVG Symposium on Visualizationen_US
dc.identifier.doi10.2312/vissym19991025en_US
dc.identifier.isbn978-3-7091-6803-5en_US
dc.identifier.issnEG: 1727-5296en_US
dc.identifier.issnSpringer: 0946-2767en_US
dc.identifier.urihttps://doi.org/10.2312/vissym19991025en_US
dc.publisherSpringer and The Eurographics Associationen_US
dc.titleVisualization of Molecules with Positional Uncertaintyen_US
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