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Issue 4, 2012
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Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

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Abstract

A database of binding kinetic data across multiple targets has been created. Analysis of this database provides insights into trends for the effects of physicochemical properties (molecular weight, clogP, rotatable bond count) on the dissociation kinetics of ligands from their biological targets.

Graphical abstract: Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

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Publication details

The article was received on 25 Oct 2011, accepted on 20 Jan 2012 and first published on 07 Feb 2012


Article type: Concise Article
DOI: 10.1039/C2MD00270A
Med. Chem. Commun., 2012,3, 449-452

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    Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

    D. C. Miller, G. Lunn, P. Jones, Y. Sabnis, N. L. Davies and P. Driscoll, Med. Chem. Commun., 2012, 3, 449
    DOI: 10.1039/C2MD00270A

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