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Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion

Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion

http://www.wikidata.org/entity/Q35033090

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Control of membrane fusion mechanism by lipid composition: predictions from ensemble molecular dynamics Everything you wanted to know about Markov State Models but were afraid to ask Cell entry of enveloped viruses Molecular mechanism of the synaptotagmin–SNARE interaction in Ca2+-triggered vesicle fusion Coarse-Grained Models for Protein-Cell Membrane Interactions.A bundling of viral fusion mechanisms.Simulation of fusion-mediated nanoemulsion interactions with model lipid bilayers.Four-scale description of membrane sculpting by BAR domains Single-particle kinetics of influenza virus membrane fusion Synthetic ion channels via self-assembly: a route for embedding porous polyoxometalate nanocapsules in lipid bilayer membranes Conformational preference of ChaK1 binding peptides: a molecular dynamics study.Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails.Single-molecule studies of the neuronal SNARE fusion machinery.Expansion of the fusion stalk and its implication for biological membrane fusion.Splaying of aliphatic tails plays a central role in barrier crossing during liposome fusion Network models for molecular kinetics and their initial applications to human health Caught in the act: visualization of SNARE-mediated fusion events in molecular detail.Lipid nanotechnology Persistent voids: a new structural metric for membrane fusion.Single-molecule measurements of dissociation rates and energy landscapes of binary trans snare complexes in parallel versus antiparallel orientation Field theoretic study of bilayer membrane fusion III: membranes with leaves of different composition.Thermodynamics of Micelle Formation and Membrane Fusion Modulate Antimicrobial Lipopeptide Activity.Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: Improved backbone hydration and interactions between charged side chains.Calculation of free energy barriers to the fusion of small vesicles.A comparison of coarse-grained and continuum models for membrane bending in lipid bilayer fusion pores.Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion Model membrane systems and their applications Effects of linker sequences on vesicle fusion mediated by lipid-anchored DNA oligonucleotides The fusion of membranes and vesicles: pathway and energy barriers from dissipative particle dynamics.Simulations of membrane tubulation by lattices of amphiphysin N-BAR domains.SNARE requirements en route to exocytosis: from many to few.Perspective on the Martini model.Probing the structural dynamics of the SNARE recycling machine based on coarse-grained modeling.The Gaussian curvature elastic energy of intermediates in membrane fusion.Membrane hemifusion is a stable intermediate of exocytosis.Direct simulation of protein-mediated vesicle fusion: lung surfactant protein B Molecular dynamics simulations of lipid vesicle fusion in atomic detail Insight or illusion? Seeing inside the cell with mesoscopic simulations.Structural features of fusogenic model transmembrane domains that differentially regulate inner and outer leaflet mixing in membrane fusion.Calculation of the distribution of eigenvalues and eigenvectors in Markovian state models for molecular dynamics.

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P2860

Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion

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Proceedings of the National Academy of Sciences of the United States of America

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Ensemble molecular dynamics yi ...... termediates of membrane fusion

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P2093

Marija Vrljic

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Nicholas W Kelley

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Nina Singhal

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Vijay S Pande

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P2860

Relationship between presynaptic calcium current and postsynaptic potential in squid giant synapse.

Crystal structure of a SNARE complex involved in synaptic exocytosis at 2.4 A resolution

Receptor binding and membrane fusion in virus entry: the influenza hemagglutinin

Hemifusion in SNARE-mediated membrane fusion.

Energetics of intermediates in membrane fusion: comparison of stalk and inverted micellar intermediate mechanisms

Membrane fusion

SNARE-mediated membrane fusion

Membrane structures of the hemifusion-inducing fusion peptide mutant G1S and the fusion-blocking mutant G1V of influenza virus hemagglutinin suggest a mechanism for pore opening in membrane fusion.

The hemifusion intermediate and its conversion to complete fusion: regulation by membrane composition.

Observation of a membrane fusion intermediate structure.

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Axel T. Brunger

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