Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

Back

Development of a Web Service for the Investigation of Complexation by Cyclodextrins

Author(s): Zsolt Bikadi, Istvan Hazai, Laszlo Demko, Peter Hari, Eszter Hazai.

Abstract:

A free web service (http://Cycloserver.organic.hu) was developed whereby cyclodextrin complexation of molecules can be estimated using molecular docking methodology. 98 various cyclodextrins were prepared in a dock-ready form on the server. Besides docking energy, the contact surface of the complex and dimerization energy of cyclodextrin hosts were calculated as well.

Keywords: Cyclodextrin, Docking, Web server, Interaction surface, Complexation

Order Reprints Order Eprints Rights & PermissionsPrintExport

Article Details

VOLUME: 7
ISSUE: 3
Year: 2010
Page: [200 - 207]
Pages: 8
DOI: 10.2174/157018010790596704
Price: $58