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- ISSN: 1570-1808
- E-ISSN: 1875-628X
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Development of a Web Service for the Investigation of Complexation by Cyclodextrins
- Source: Letters in Drug Design & Discovery, Volume 7, Issue 3, Mar 2010, p. 200 - 207
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- 01 Mar 2010
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.
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