Search Results - "Risselada, H. Jelger"

Martini 3: a coarse-grained force field with an eye for atomic detail by Risselada, H. Jelger

“…Souza et al. present the latest release of the popular and widely used force field for near-atomistic coarse-grained biomolecular simulations…”
Get full text

How proteins open fusion pores: insights from molecular simulations by Risselada, H. Jelger, Grubmüller, Helmut

“…Fusion proteins can play a versatile and involved role during all stages of the fusion reaction. Their roles go far beyond forcing the opposing membranes into…”
Get full text

molecular face of lipid rafts in model membranes by Risselada, H. Jelger, Marrink, Siewert J

“…Cell membranes contain a large number of different lipid species. Such a multicomponent mixture exhibits a complex phase behavior with regions of structural…”
Get full text

The MARTINI Force Field:  Coarse Grained Model for Biomolecular Simulations by Marrink, Siewert J, Risselada, H. Jelger, Yefimov, Serge, Tieleman, D. Peter, de Vries, Alex H

“…We present an improved and extended version of our coarse grained lipid model. The new version, coined the MARTINI force field, is parametrized in a systematic…”
Get full text

Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations by Risselada, H Jelger, Marrink, Siewert J

“…The molecular packing details of lipids in planar bilayers are well characterized. For curved bilayers, however, little data is available. In this paper we…”
Get more information

The Molecular Mechanism of Lipid Monolayer Collapse by Baoukina, Svetlana, Monticelli, Luca, Risselada, H. Jelger, Marrink, Siewert J., Tieleman, D. Peter

“…Lipid monolayers at an air-water interface can be compressed laterally and reach high surface density. Beyond a certain threshold, they become unstable and…”
Get full text

Liquids relax and unify strain in graphene by Belyaeva, Liubov A., Jiang, Lin, Soleimani, Alireza, Methorst, Jeroen, Risselada, H. Jelger, Schneider, Grégory F.

“…Solid substrates often induce non-uniform strain and doping in graphene monolayer, therefore altering the intrinsic properties of graphene, reducing its charge…”
Get full text

Release of content through mechano-sensitive gates in pressurized liposomes by Louhivuori, Martti, Risselada, H. Jelger, van der Giessen, Erik, Marrink, Siewert J., Fersht, Alan R.

“…Mechano-sensitive channels are ubiquitous membrane proteins that activate in response to increasing tension in the lipid membrane. They facilitate a sudden,…”
Get full text

Stability of Asymmetric Lipid Bilayers Assessed by Molecular Dynamics Simulations by Esteban-Martín, Santi, Risselada, H. Jelger, Salgado, Jesús, Marrink, Siewert J

“…The asymmetric insertion of amphiphiles into biological membranes compromises the balance between the inner and outer monolayers. As a result, area expansion…”
Get full text

Membrane lateral structure: the influence of immobilized particles on domain size by Fischer, Timo, Risselada, H Jelger, Vink, Richard L C

“…In experiments on model membranes, formation of large domains of different lipid composition is readily observed. However, no such phase separation is observed…”
Get more information

TatBC-independent TatA/Tat substrate interactions contribute to transport efficiency by Taubert, Johannes, Hou, Bo, Risselada, H Jelger, Mehner, Denise, Lünsdorf, Heinrich, Grubmüller, Helmut, Brüser, Thomas

“…The Tat system can transport folded, signal peptide-containing proteins (Tat substrates) across energized membranes of prokaryotes and plant plastids. A…”
Get full text

Membrane protein sequestering by ionic protein–lipid interactions by van den Bogaart, Geert, Meyenberg, Karsten, Risselada, H. Jelger, Amin, Hayder, Willig, Katrin I., Hubrich, Barbara E., Dier, Markus, Hell, Stefan W., Grubmüller, Helmut, Diederichsen, Ulf, Jahn, Reinhard

“…Electrostatic factors in membrane organization Exocytosis in neuronal cells requires the SNARE protein syntaxin-1A, which is clustered at sites where synaptic…”
Get full text

Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment by Honigmann, Alf, van den Bogaart, Geert, Iraheta, Emilio, Risselada, H Jelger, Milovanovic, Dragomir, Mueller, Veronika, Müllar, Stefan, Diederichsen, Ulf, Fasshauer, Dirk, Grubmüller, Helmut, Hell, Stefan W, Eggeling, Christian, Kühnel, Karin, Jahn, Reinhard

“…Interactions between synaptotagmin-1 and the SNARE syntaxin-1 are known to mediate synaptic-vesicle exocytosis. Fusion experiments with artificial lipid…”
Get full text

Fusion Pores Live on the Edge by Blokhuis, Edgar M, D’Agostino, Massimo, Mayer, Andreas, Risselada, H. Jelger

“…Biological transmission of vesicular content occurs by opening of a fusion pore. Recent experimental observations have illustrated that fusion pores between…”
Get full text

3D pressure field in lipid membranes and membrane-protein complexes by Ollila, O H Samuli, Risselada, H Jelger, Louhivuori, Martti, Lindahl, Erik, Vattulainen, Ilpo, Marrink, Siewert J

“…We calculate full 3D pressure fields for inhomogeneous nanoscale systems using molecular dynamics simulation data. The fields represent systems with increasing…”
Get full text

Synaptotagmin-1 may be a distance regulator acting upstream of SNARE nucleation by Jahn, Reinhard, van den Bogaart, Geert, Thutupalli, Shashi, Risselada, Jelger H, Meyenberg, Karsten, Holt, Matthew, Riedel, Dietmar, Diederichsen, Ulf, Herminghaus, Stephan, Grubmüller, Helmut

“…Synaptotagmin-1 is known to accelerate membrane fusion during neuronal exocytosis in response to Ca 2+ , but how it does this is unclear. By probing the…”
Get full text

Curvature-dependent elastic properties of liquid-ordered domains result in inverted domain sorting on uniaxially compressed vesicles by Risselada, H Jelger, Marrink, Siewert Jan, Müller, Marcus

“…Using a coarse-grained molecular model we study the spatial distribution of lipid domains on a 20-nm-sized vesicle. The lipid mixture laterally phase separates…”
Get full text

PspF‐binding domain PspA1–144 and the PspA·F complex: New insights into the coiled–coil‐dependent regulation of AAA+ proteins by Osadnik, Hendrik, Schöpfel, Michael, Heidrich, Eyleen, Mehner, Denise, Lilie, Hauke, Parthier, Christoph, Risselada, H. Jelger, Grubmüller, Helmut, Stubbs, Milton T., Brüser, Thomas

“…Summary Phage shock protein A (PspA) belongs to the highy conserved PspA/IM30 family and is a key component of the stress inducible Psp system in Escherichia…”
Get full text

Reconstruction of atomistic details from coarse-grained structures by Rzepiela, Andrzej J., Schäfer, Lars V., Goga, Nicolae, Risselada, H. Jelger, De Vries, Alex H., Marrink, Siewert J.

“…We present an algorithm to reconstruct atomistic structures from their corresponding coarse‐grained (CG) representations and its implementation into the freely…”
Get full text

Application of Mean Field Boundary Potentials in Simulations of Lipid Vesicles by Risselada, H. Jelger, Mark, Alan E, Marrink, Siewert J

“…A method is presented to enhance the efficiency of simulations of lipid vesicles. The method increases computational speed by eliminating water molecules that…”
Get full text