Virtual Screening
Principles, Challenges, and Practical Guidelines
Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to real screening that requires cost- and labor-intensive laboratory testing with prev…
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Produktdetails
Weitere Autoren: Folkers, Gerd (Reihe Hrsg.) / Kubinyi, Hugo (Reihe Hrsg.) / Sotriffer, Christoph (Hrsg.)
- ISBN: 978-3-527-63334-0
- EAN: 9783527633340
- Produktnummer: 13886294
- Verlag: Wiley-Vch
- Sprache: Englisch
- Erscheinungsjahr: 2011
- Seitenangabe: 550 S.
- Plattform: EPUB
- Masse: 6'080 KB
Über den Autor
Christoph Sotriffer is Professor for Pharmaceutical Chemistry at the University ofWürzburg, Germany. He graduated as a chemist from the University of Innsbruck, Austria, where he obtained his PhD in 1999. After conducting postdoctoral research at the University of California, San Diego, USA, and the University of Marburg, Germany, he moved to the University ofWürzburg in 2006, where he has built a research group for computational medicinal chemistry. Besides structure-based drug design and virtual screening, his prime scientific interest is the computational analysis and prediction of protein-ligand interactions. His work was awarded by the Austrian Chemical Society GÖCH in 2005and the German Chemical and Pharmaceutical Societies GDCh and DPhG in 2007.
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