A solvent induced mechanism for conformational change†
Abstract
Molecular dynamics simulations have been used to investigate the dynamic behaviour of two small molecule
* Corresponding authors
a
Chemistry Department, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, UK
E-mail:
christopher.baker@chem.ox.ac.uk
b
Unilever Centre for Molecular Informatics, University Chemical Laboratory, Lensfield Road, Cambridge, UK
E-mail:
ghg24@cam.ac.uk
Fax: +44 1223 763076
Tel: +44 1223 763981
Molecular dynamics simulations have been used to investigate the dynamic behaviour of two small molecule
C. M. Baker and G. H. Grant, Chem. Commun., 2006, 1387 DOI: 10.1039/B517868A
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