How SNARE molecules mediate membrane fusion: recent insights from molecular simulations

HJ Risselada, H Grubmüller - Current opinion in structural biology, 2012 - Elsevier
SNARE molecules are the core constituents of the protein machinery that facilitate fusion of
synaptic vesicles with the presynaptic plasma membrane, resulting in the release of …

Impact of nanoparticles on amyloid peptide and protein aggregation: a review with a focus on gold nanoparticles

T John, A Gladytz, C Kubeil, LL Martin, HJ Risselada… - Nanoscale, 2018 - pubs.rsc.org
Society is increasingly exposed to nanoparticles as they are ubiquitous in nature and introduced
as man-made air pollutants and as functional ingredients in cosmetic products as well …

SNAREs, tethers and SM proteins: how to overcome the final barriers to membrane fusion?

HJ Risselada, A Mayer - Biochemical Journal, 2020 - portlandpress.com
Physiological membrane vesicles are built to separate reaction spaces in a stable manner,
even when they accidentally collide or are kept in apposition by spatial constraints in the cell. …

Caught in the act: visualization of SNARE‐mediated fusion events in molecular detail

HJ Risselada, C Kutzner, H Grubmüller - ChemBioChem, 2011 - Wiley Online Library
Neurotransmitter release at the synapse requires fusion of synaptic vesicles with the
presynaptic plasma membrane. SNAREs are the core constituents of the protein machinery …

Expansion of the fusion stalk and its implication for biological membrane fusion

HJ Risselada, G Bubnis… - Proceedings of the …, 2014 - National Acad Sciences
Over the past 20 years, it has been widely accepted that membrane fusion proceeds via a
hemifusion step before opening of the productive fusion pore. An initial hourglass-shaped lipid …

A tethering complex drives the terminal stage of SNARE-dependent membrane fusion

M D'Agostino, HJ Risselada, A Lürick, C Ungermann… - Nature, 2017 - nature.com
Membrane fusion in eukaryotic cells mediates the biogenesis of organelles, vesicular traffic
between them, and exo- and endocytosis of important signalling molecules, such as …

Gold‐induced fibril growth: the mechanism of surface‐facilitated amyloid aggregation

A Gladytz, B Abel, HJ Risselada - … Chemie International Edition, 2016 - Wiley Online Library
The question of how amyloid fibril formation is influenced by surfaces is crucial for a detailed
understanding of the process in vivo. We applied a combination of kinetic experiments and …

[HTML][HTML] Line-tension controlled mechanism for influenza fusion

HJ Risselada, G Marelli, M Fuhrmans, YG Smirnova… - PLoS …, 2012 - journals.plos.org
Our molecular simulations reveal that wild-type influenza fusion peptides are able to stabilize
a highly fusogenic pre-fusion structure, ie a peptide bundle formed by four or more trans-…

Thermodynamically reversible paths of the first fusion intermediate reveal an important role for membrane anchors of fusion proteins

YG Smirnova, HJ Risselada… - Proceedings of the …, 2019 - National Acad Sciences
Biological membrane fusion proceeds via an essential topological transition of the two
membranes involved. Known players such as certain lipid species and fusion proteins are …

CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization

…, PCT Souza, L Monticelli, HJ Risselada - Journal of Chemical …, 2023 - ACS Publications
Coarse-grained force fields (CG FFs) such as the Martini model entail a predefined, fixed set
of Lennard-Jones parameters (building blocks) to model virtually all possible nonbonded …