Journal of Computer-Aided Molecular Design

, Volume 23, Issue 9, pp 669–675 | Cite as

OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes

Article

Abstract

OpenCDLig (freely available at https://kdd.di.unito.it/casmedchem) implements a repository of complexes formed by cyclodextrins (CDs) and ligands (L) with related experimental data and make it available by an easy to use web interface. At the present time, the application supports two kinds of data: K, the association constant of a CD/L complex in [M−1] and 3D structures in mol2 format. OpenCDLig is meant to become a community maintained source of experimental resources related to cyclodextrin complexes.

Keywords

3D structures Cyclodextrins Complexes Database Ligand Ruby on Rails Stability constants Web application 

Notes

Acknowledgments

This work was financially supported by the University of Turin.

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Copyright information

© Springer Science+Business Media B.V. 2009

Authors and Affiliations

  • Roberto Esposito
    • 1
  • Giuseppe Ermondi
    • 2
  • Giulia Caron
    • 2
  1. 1.Dipartimento di InformaticaTorinoItaly
  2. 2.Dipartimento di Scienza e Tecnologia del FarmacoCASMedChem LaboratoryTorinoItaly

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