The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations

J Pan, X Cheng, L Monticelli, FA Heberle, N Kučerka… - Soft matter, 2014 - pubs.rsc.org
Phosphatidylserine (PS) lipids play essential roles in biological processes, including
enzyme activation and apoptosis. We report on the molecular structure and atomic scale …

Atomic-scale structure and electrostatics of anionic palmitoyloleoylphosphatidylglycerol lipid bilayers with Na+ counterions

W Zhao, T Róg, AA Gurtovenko, I Vattulainen… - Biophysical journal, 2007 - cell.com
Anionic palmitoyloleoylphosphatidylglycerol (POPG) is one of the most abundant lipids in
nature, yet its atomic-scale properties have not received significant attention. Here we report …

Complex behavior of phosphatidylcholine–phosphatidic acid bilayers and monolayers: Effect of acyl chain unsaturation

W Kulig, H Korolainen, M Zatorska, U Kwolek… - Langmuir, 2019 - ACS Publications
Phosphatidic acids (PAs) have many biological functions in biomembranes, eg, they are
involved in the proliferation, differentiation, and transformation of cells. Despite decades of …

Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl

P Mukhopadhyay, L Monticelli, DP Tieleman - Biophysical journal, 2004 - cell.com
Two 40ns molecular dynamics simulations of a palmitoyl-oleoyl phosphatidylserine (POPS)
lipid bilayer in the liquid crystalline phase with Na+ counterions and NaCl were carried out …

Molecular dynamics simulation of dipalmitoylphosphatidylserine bilayer with Na+ counterions

SA Pandit, ML Berkowitz - Biophysical journal, 2002 - cell.com
We performed a molecular dynamics simulation of dipalmitoylphosphatidylserine (DPPS)
bilayer with Na+ counterions. We found that hydrogen bonding between the NH 3+ group …

The structures of polyunsaturated lipid bilayers by joint refinement of neutron and X-ray scattering data

D Marquardt, FA Heberle, J Pan, X Cheng… - Chemistry and Physics …, 2020 - Elsevier
We present the detailed structural analysis of polyunsaturated fatty acid-containing
phospholipids namely, 1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine …

Structure and fluctuations of charged phosphatidylserine bilayers in the absence of salt

HI Petrache, S Tristram-Nagle, K Gawrisch, D Harries… - Biophysical journal, 2004 - cell.com
Using x-ray diffraction and NMR spectroscopy, we present structural and material properties
of phosphatidylserine (PS) bilayers that may account for the well documented implications of …

Molecular structures of fluid phosphatidylethanolamine bilayers obtained from simulation-to-experiment comparisons and experimental scattering density profiles

N Kučerka, B van Oosten, J Pan… - The journal of …, 2015 - ACS Publications
Following our previous efforts in determining the structures of commonly used PC, PG, and
PS bilayers, we continue our studies of fully hydrated, fluid phase PE bilayers. The newly …

Structural effects of neutral lipids on divalent cation-induced interactions of phosphatidylserine-containing bilayers

JR Coorssen, RP Rand - Biophysical journal, 1995 - cell.com
Ca2+ is known to induce the adhesion and collapse of phosphatidylserine (PS) bilayers into
dehydrated multilamellar structures. The aim of this study was to examine how that …

Asymmetric distribution of anionic phospholipids in supported lipid bilayers

S Stanglmaier, S Hertrich, K Fritz, JF Moulin… - Langmuir, 2012 - ACS Publications
Lipid bilayers with a controlled content of anionic lipids are a prerequisite for the quantitative
study of hydrophobic–electrostatic interactions of proteins with lipid bilayers. Here, the …