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.
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This work was financially supported by the University of Turin.
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Esposito, R., Ermondi, G. & Caron, G. OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes. J Comput Aided Mol Des 23, 669–675 (2009). https://doi.org/10.1007/s10822-009-9290-3
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DOI: https://doi.org/10.1007/s10822-009-9290-3