Objectives
The overall objective of WP2 is to carry out computer simulation studies of aquaporin embedded in different nanotechnological membrane materials, and to use the data from computer simulations in the design of new nanotechnological membrane materials. Four sub-objectives are:To compute atomistic Molecular Dynamics (MD) simulation of conduction across AQPs
To compute atomistic MD simulation of carbon nanotubes (CNTs) as composite matrix
To compute atomistic MD simulation of free standing and supported bilayer membranes
To compute coarse grained simulations (MD) and Dissipative Particle Dynamics (DPD)
Partners
SDU