Anomalous and anisotropic diffusion of plastocyanin hydration water
Unità INFM, Dipartimento di Fisica dell'Università - I-06100, Perugia, Italy
Dipartimento di Scienze Ambientali, Università della Tuscia - I-01100, Viterbo, Italy
Accepted: 5 December 1996
Molecular-dynamics simulation of hydrated plastocyanin shows that the water molecules undergo, at the protein interface, an anisotropic and non-Gaussian translational diffusion. The decoupling of the oxygen mean-square displacement into a parallel and a perpendicular component with respect to the protein surface and their sublinear trends with time is found to be dependent on the distance from the protein surface.
PACS: 66.10.-x – Diffusion and ionic conduction in liquids / 87.15.He – Molecular dynamics and conformational changes
© EDP Sciences, 1997