A solvent induced mechanism for conformational change.
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.
Chemistry Department, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, UKOX1 3QZ. christopher.baker@chem.ox.ac.uk
Christopher M
CM
Baker
Guy H
GH
Grant
D006860:Hydrogen Bonding; D008968:Molecular Conformation; D012997:Solvents / Q000737:chemistry*
D012997:Solvents