Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Lipid nanotechnology

S Mashaghi, T Jadidi, G Koenderink… - International journal of …, 2013 - mdpi.com
Nanotechnology is a multidisciplinary field that covers a vast and diverse array of devices
and machines derived from engineering, physics, materials science, chemistry and biology …

[HTML][HTML] Lipids on the move: simulations of membrane pores, domains, stalks and curves

SJ Marrink, AH De Vries, DP Tieleman - Biochimica et Biophysica Acta …, 2009 - Elsevier
In this review we describe the state-of-the-art of computer simulations studies of lipid
membranes. We focus on collective lipid–lipid and lipid–protein interactions that trigger …

LiPyphilic: A Python toolkit for the analysis of lipid membrane simulations

P Smith, CD Lorenz - Journal of chemical theory and computation, 2021 - ACS Publications
Molecular dynamics simulations are now widely used to study emergent phenomena in lipid
membranes with complex compositions. Here, we present LiPyphilic—a fast, fully tested …

On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment

D Poger, AE Mark - Journal of Chemical Theory and Computation, 2010 - ACS Publications
Molecular dynamics simulations of fully hydrated pure bilayers of four widely studied
phospholipids, 1, 2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1, 2-dimyristoyl-sn …

[HTML][HTML] Transbilayer (flip-flop) lipid motion and lipid scrambling in membranes

FX Contreras, L Sánchez-Magraner, A Alonso, FM Goñi - FEBS letters, 2010 - Elsevier
This paper reviews the current knowledge on the various mechanisms for transbilayer, or flip-
flop, lipid motion in model and cell membranes, enzyme-assisted lipid transfer by flippases …

Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations

RA Böckmann, BL De Groot, S Kakorin, E Neumann… - Biophysical journal, 2008 - cell.com
Membrane electroporation is the method to directly transfer bioactive substances such as
drugs and genes into living cells, as well as preceding electrofusion. Although much …

Lipid somersaults: Uncovering the mechanisms of protein-mediated lipid flip**

TG Pomorski, AK Menon - Progress in lipid research, 2016 - Elsevier
Membrane lipids diffuse rapidly in the plane of the membrane but their ability to flip
spontaneously across a membrane bilayer is hampered by a significant energy barrier. Thus …

A synthetic enzyme built from DNA flips 107 lipids per second in biological membranes

A Ohmann, CY Li, C Maffeo, K Al Nahas… - Nature …, 2018 - nature.com
Mimicking enzyme function and increasing performance of naturally evolved proteins is one
of the most challenging and intriguing aims of nanoscience. Here, we employ DNA …

1H NMR Shows Slow Phospholipid Flip-Flop in Gel and Fluid Bilayers

D Marquardt, FA Heberle, T Miti, B Eicher, E London… - Langmuir, 2017 - ACS Publications
We measured the transbilayer diffusion of 1, 2-dipalmitoyl-sn-glycero-3-phosphocholine
(DPPC) in large unilamellar vesicles, in both the gel (L β′) and fluid (L α) phases. The …