In this manuscript, we present important findings on the transport of free protonated docosahexaenoic acid (DHAP) within a model a human brain lipid membrane and on the effect that DHAP has on the structural and dynamic properties of the membrane. We report the results of large-scale all-atom molecular dynamics simulations …
In this manuscript, we present important findings of how lipid heterogeneity in model lipid membranes affect various structural and dynamic properties of the lipids within the membranes . We report the results of large-scale all-atom molecular dynamics simulations of commonly used simple model lipid membranes as well as two complex …
We have recently published a manuscript entitled “On the hydration of DOPE in solution” in collaboration with Sylvia McLain’s group at the University of Oxford. In this manuscript, we utilise neutron diffraction and NMR experiments alongside Empirical Potential Structure Refinement (EPSR) and atomistic molecular dynamics simulations to gain a state-of-the-art …