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

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

Journal Name: Letters in Drug Design & Discovery

Volume 7 , Issue 3 , 2010

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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

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Article Details

VOLUME: 7
ISSUE: 3
Year: 2010
Page: [200 - 207]
Pages: 8
DOI: 10.2174/157018010790596704
Price: $65

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