Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes

QR Code

Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes

Molecular dynamics simulations have been used to investigate the effect of DMSO on 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospholipid bilayers. The concentration of DMSO was varied between 0 and 25.0 mol %. For both lipids, DMSO c...

Full description

Bibliographic Details
Main Authors:	Hughes, Zak, Mark, A., Mancera, Ricardo
Format:	Journal Article
Published:	American Chemical Society 2012
Online Access:	http://hdl.handle.net/20.500.11937/38355

Similar Items

Molecular dynamics simulations of mixed DOPC-ß-sitosterol bilayers and their interactions with DMSO
by: Hughes, Zak, et al.
Published: (2013)

Molecular dynamics simulations of the interactions of DMSO, mono- and polyhydroxylated cryosolvents with a hydrated phospholipid bilayer
by: Malajczuk, Chris, et al.
Published: (2013)

The effects of cryosolvents on DOPC-ß-sitosterol bilayers determined from molecular dynamics simulations
by: Hughes, Zak, et al.
Published: (2013)

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field
by: Stachura, S., et al.
Published: (2018)

Molecular mechanism of the synergistic effects of vitrification solutions on the stability of phospholipid bilayers
by: Hughes, Z., et al.
Published: (2014)

Molecular mechanism of solvent cryoprotection in aqueous DMSO solutions
by: Mandumpal, Jestin, et al.
Published: (2011)

Influence of Bilayer Size and Number in Multi-Bilayer DOPC Simulations at Full and Low Hydration
by: Stachura, S., et al.
Published: (2019)

Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane
by: Hughes, Zak, et al.
Published: (2011)

A coarse-grained molecular dynamics study of DLPC, DMPC, DPPC, and DSPC mixtures in aqueous solution
by: Karjiban, Roghayeh Abedi, et al.
Published: (2013)

Molecular dynamics simulations of CXCL-8 and its interactions with a receptor peptide, heparin fragments and sulfated cyclitols.
by: Gandhi, Neha, et al.
Published: (2011)

Effect of gamma irradiation on the physical stability of DPPC liposomes
by: Liyana Mohd Ali Napia,, et al.
Published: (2018)

The effect of hydronium ions on the structure of phospholipid membranes
by: Deplazes, Evelyne, et al.
Published: (2017)

Characterization of the Glass Transition of Water Predicted by Molecular Dynamics Simulations Using Nonpolarizable Intermolecular Potentials
by: Kreck, Cara, et al.
Published: (2014)

Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations
by: Kreck, Cara, et al.
Published: (2011)

Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein
by: Yang, A., et al.
Published: (2008)

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment
by: Lyons, Albert, et al.
Published: (2014)

The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase
by: Mancera, Ricardo, et al.
Published: (2005)

Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps)
by: Gandhi, Neha, et al.
Published: (2018)

Can current force fields reproduce ring puckering in 2-O-sulfo-?-L-iduronic acid? A molecular dynamics simulation study
by: Gandhi, Neha, et al.
Published: (2010)

Sidekick for membrane simulations: automated ensemble molecular dynamics simulations of transmembrane helices
by: Hall, Benjamin A., et al.
Published: (2014)

Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
by: Gandhi, N., et al.
Published: (2017)

Crystallisation of lactose monohydrate from DMSO solutions: Influence of lactose
by: Dincer, Tuna, et al.
Published: (1999)

Characterisation of the structure and oligomerisation of islet amyloid polypeptides (IAPP): A review of molecular dynamics simulation studies
by: Moore, S., et al.
Published: (2018)

The effect of H3O+ on the membrane morphology and hydrogen bonding of a phospholipid bilayer
by: Deplazes, Evelyne, et al.
Published: (2018)

The role of mitochondrial survivin in phospholipid biosynthesis
by: Dunajova, Lucia
Published: (2016)

Molecular Scale Modeling of Membrane Water Treatment Processes
by: Ridgway, H., et al.
Published: (2013)

Molecular simulations of venom peptide-membrane interactions: Progress and challenges
by: Deplazes, Evelyne
Published: (2018)

Molecular modeling of hydration in drug design
by: Mancera, Ricardo
Published: (2007)

Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine
by: Wiebrands, Michael, et al.
Published: (2018)

Activation of DMSO for Swern-type oxidation by 1,1-dichlorocycloheptatriene
by: Nguyen, Thanh Vinh, et al.
Published: (2014)

Structural and proteomic insights into the antibiofilm efficacy of DMSO on Corynebacterium pseudotuberculosis
by: Syaida, Anati Abd Rashid, et al.
Published: (2025)

Molecular interaction of patchouli extraction process using molecular dynamic simulation approach
by: Siti Hana, Abu Bakar
Published: (2014)

Phospholipid-protein structured membrane for microencapsulation of DHA oil and evaluation of its in vitro digestibility: inspired by milk fat globule membrane
by: Oi, Ming Lai, et al.
Published: (2020)

Probing polyoxometalate-protein interactions using molecular dynamics simulations
by: Solé-Daura, Albert, et al.
Published: (2016)

Platelet endothelial cell adhesion molecule (PECAM-1) and its interactions with glycosaminoglycans 1. Molecular modelling studies
by: Gandhi, Neha, et al.
Published: (2008)

A computational investigation of the properties of a reverse osmosis membrane
by: Hughes, Zak, et al.
Published: (2010)

Docking And Molecular Dynamics Simulation Studies Of Insulin-Β-Cyclodextrin Interactions
by: Muhammad, Erma Fatiha
Published: (2016)

Docking And Molecular Dynamics Simulation Studies Of Insulin-P- Cyclodextrin Interactions
by: Muhammad, Erma Fatiha
Published: (2016)

The Structure of Glycosaminoglycans and their Interactions with Proteins
by: Gandhi, Neha, et al.
Published: (2008)

Assessment of a Novel Enhanced Sampling Method for Molecular Simulations of Peptide-membrane Interactions
by: Tanner, John Douglas
Published: (2020)