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
Letters in Drug Design & Discovery
Title: Development of a Web Service for the Investigation of Complexation by Cyclodextrins
Volume: 7 Issue: 3
Author(s): Zsolt Bikadi, Istvan Hazai, Laszlo Demko, Peter Hari and Eszter Hazai
Affiliation:
Keywords: Cyclodextrin, Docking, Web server, Interaction surface, Complexation
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.
Export Options
About this article
Cite this article as:
Bikadi Zsolt, Hazai Istvan, Demko Laszlo, Hari Peter and Hazai Eszter, Development of a Web Service for the Investigation of Complexation by Cyclodextrins, Letters in Drug Design & Discovery 2010; 7 (3) . https://dx.doi.org/10.2174/157018010790596704
DOI https://dx.doi.org/10.2174/157018010790596704 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers