A solvent induced mechanism for conformational change |
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| Authors: | Baker Christopher M Grant Guy H |
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| Affiliation: | Chemistry Department, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, UKOX1 3QZ. christopher.baker@chem.ox.ac.uk |
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| 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. |
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