Structural insights on ionizable Dlin-MC3-DMA lipids in DOPC layers by combining accurate atomistic force fields, molecular dynamics simulations and neutron reflectivity

Author:

Ibrahim Mohd1ORCID,Gilbert Jennifer23ORCID,Heinz Marcel1ORCID,Nylander Tommy2345ORCID,Schwierz Nadine16ORCID

Affiliation:

1. Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany

2. Physical Chemistry, Department of Chemistry Lund University, P.O Box 124, SE-22100 Lund, Sweden

3. NanoLund, Lund University, Professorsgatan 1, 223 63 Lund, Sweden

4. LINXS Institute of Advanced Neutron and X-Ray Science, Scheelevägen 19, 223 70, Lund, Sweden

5. School of Chemical Engineering and Translational Nanobioscience Research Center, Sungkyunkwan University, Suwon, Republic of Korea

6. Institute of Physics, University of Augsburg, 86159 Augsburg, Germany

Abstract

Force fields for Dlin-MC3-DMA lipids for molecular dynamics simulations validated by structural insights from neutron reflectivity experiments.

Funder

Bundesministerium für Bildung und Forschung

Deutsche Forschungsgemeinschaft

Vetenskapsrådet

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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