AbstractMolecular 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.
CitationBaker, C.M. and Grant, G.H. (2006) 'A solvent induced mechanism for conformational change', Chemical Communications, 13, pp.1387-1389.
PublisherRoyal Society of Chemistry