Water dynamics in the hydration shells of biomolecules

D Laage, T Elsaesser, JT Hynes - Chemical Reviews, 2017 - ACS Publications
The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

[HTML][HTML] Ordering effects of cholesterol and its analogues

T Róg, M Pasenkiewicz-Gierula, I Vattulainen… - … et Biophysica Acta (BBA …, 2009 - Elsevier
Without any exaggeration, cholesterol is one of the most important lipid species in eukaryotic
cells. Its effects on cellular membranes and functions range from purely mechanistic to …

Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethyl sulfoxide

AA Gurtovenko, J Anwar - The journal of physical chemistry B, 2007 - ACS Publications
Dimethyl sulfoxide (DMSO) is a small amphiphilic molecule which is widely employed in cell
biology as an effective penetration enhancer, cell fusogen, and cryoprotectant. Despite the …

[HTML][HTML] Phosphatidylethanolamine-phosphatidylglycerol bilayer as a model of the inner bacterial membrane

K Murzyn, T Róg, M Pasenkiewicz-Gierula - Biophysical journal, 2005 - cell.com
Phosphatidylethanolamine (PE) and phosphatidylglycerol (PG) are the main lipid
components of the inner bacterial membrane. A computer model for such a membrane was …

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 …

Biological and synthetic membranes: What can be learned from a coarse-grained description?

M Müller, K Katsov, M Schick - Physics Reports, 2006 - Elsevier
We discuss the role coarse-grained models play in the investigation of the structure and
thermodynamics of bilayer membranes, and we place them in the context of alternative …

Molecular dynamics simulations of lipid bilayers

SE Feller - Current opinion in colloid & interface science, 2000 - Elsevier
Computer simulation methods are becoming increasingly widespread as tools for studying
the structure and dynamics of lipid bilayer membranes. The length scale and time scale …

[HTML][HTML] Structural and functional properties of hydration and confined water in membrane interfaces

EA Disalvo, F Lairion, F Martini, E Tymczyszyn… - … et Biophysica Acta (BBA …, 2008 - Elsevier
The scope of the present review focuses on the interfacial properties of cell membranes that
may establish a link between the membrane and the cytosolic components. We present …

Effect of ion-binding and chemical phospholipid structure on the nanomechanics of lipid bilayers studied by force spectroscopy

S Garcia-Manyes, G Oncins, F Sanz - Biophysical journal, 2005 - cell.com
The nanomechanical response of supported lipid bilayers has been studied by force
spectroscopy with atomic force microscopy. We have experimentally proved that the amount …

Aqueous solutions next to phospholipid membrane surfaces: insights from simulations

ML Berkowitz, DL Bostick, S Pandit - Chemical reviews, 2006 - ACS Publications
It is well established that water plays a very important role in the functioning of biological
molecules and their assemblies. Among such molecular assemblies are biological …