Issue 13, 2006
From the journal:

Chemical Communications

A solvent induced mechanism for conformational change†

Christopher M. Bakerab  and  Guy H. Grant*b  

* 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

Abstract

Molecular dynamics simulations have been used to investigate the dynamic behaviour of two small molecule neurotransmitter analogues in aqueous solution, leading to the elucidation of a mechanism for conformational change which is driven by the presence of the solvent molecules.

Graphical abstract: A solvent induced mechanism for conformational change

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Article information

DOI
https://doi.org/10.1039/B517868A
Article type
Communication
Submitted
16 Dec 2005
Accepted
02 Feb 2006
First published
21 Feb 2006

Chem. Commun., 2006, 1387-1389

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A solvent induced mechanism for conformational change

C. M. Baker and G. H. Grant, Chem. Commun., 2006, 1387 DOI: 10.1039/B517868A

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