468 citations · 867 across the 8 of their papers we have counts for
9 papers
Dissipative particle dynamics: systematic parametrization using water-octanol partition coefficients
Richard L. Anderson, David J. Bray, Andrea S. Ferrante +3
We present a systematic, top-down, thermodynamic parametrization scheme for dissipative particle dynamics (DPD) using water-octanol partition coefficients, supplemented by water-oc…
Fast cholesterol flip-flop and lack of swelling in skin lipid multilayers
Chinmay Das, Massimo G. Noro, Peter D. Olmsted
Atomistic simulations were performed on hydrated model lipid multilayers that are representative of the lipid matrix in the outer skin (stratum corneum). We find that cholesterol t…
Lamellar and inverse micellar structures of skin lipids: Effect of templating
Chinmay Das, Massimo G. Noro, Peter D. Olmsted
The outermost layer of skin, the stratum corneum (SC), comprises rigid corneocytes in a layered lipid matrix. Using atomistic simulations we find that the equilibrium phase of the…
Self-consistent field theory for the interactions between keratin intermediate filaments
Anna Akinshina, Etienne Jambon-Puillet, Patrick B. Warren +1
We have developed a model for the interactions between keratin intermediate filaments based on self-consistent field theory. The intermediate filaments are represented by charged s…
Water permeation through stratum corneum lipid bilayers from atomistic simulations
Chinmay Das, Peter D. Olmsted, Massimo G. Noro
Stratum corneum, the outermost layer of skin, consists of keratin filled rigid non-viable corneocyte cells surrounded by multilayers of lipids. The lipid layer is responsible for t…
Simulation studies of stratum corneum lipid mixtures
Chinmay Das, Massimo G. Noro, Peter D. Olmsted
We present atomistic molecular dynamics results for fully hydrated bilayers composed of ceramide NS-24:0, free fatty acid 24:0 and cholesterol, to address the effect of the differe…