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

Lookup NU author(s): Duncan MillerORCiD, Dr Peter Jones

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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.

Publication metadata

Author(s): Miller DC, Lunn G, Jones P, Sabnis Y, Davies NL, Driscoll P

Publication type: Article

Publication status: Published

Journal: MedChemComm

Year: 2012

Volume: 3

Issue: 4

Pages: 449-452

Print publication date: 07/02/2012

ISSN (print): 2040-2503

ISSN (electronic): 2040-2511

Publisher: Royal Society of Chemistry

URL: http://dx.doi.org/10.1039/c2md00270a

DOI: 10.1039/c2md00270a

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