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Letters in Drug Design & Discovery

Editor-in-Chief

ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

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

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

Volume 7, Issue 3, 2010

Page: [200 - 207] Pages: 8

DOI: 10.2174/157018010790596704

Price: $65

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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