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