Two decades of Martini: Better beads, broader scope
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Mechanism of membrane fusion: interplay of lipid and peptide
Membrane fusion is an essential process for the survival of eukaryotes and the entry of
enveloped viruses into host cells. A proper understanding of the mechanism of membrane …
enveloped viruses into host cells. A proper understanding of the mechanism of membrane …
[HTML][HTML] Computational modeling of membrane trafficking processes: From large molecular assemblies to chemical specificity
In the last decade, molecular dynamics (MD) simulations have become an essential tool to
investigate the molecular properties of membrane trafficking processes, often in conjunction …
investigate the molecular properties of membrane trafficking processes, often in conjunction …
Dynamic fusion of nucleic acid functionalized nano-/micro-cell-like containments: from basic concepts to applications
Membrane fusion processes play key roles in biological transformations, such as
endocytosis/exocytosis, signal transduction, neurotransmission, or viral infections, and …
endocytosis/exocytosis, signal transduction, neurotransmission, or viral infections, and …
Cell-inspired, massive electromodulation of friction via transmembrane fields across lipid bilayers
Transient electric fields across cell bilayer membranes can lead to electroporation and cell
fusion, effects crucial to cell viability whose biological implications have been extensively …
fusion, effects crucial to cell viability whose biological implications have been extensively …
The local variation of the Gaussian modulus enables different pathways for fluid lipid vesicle fusion
Viral infections, fertilization, neurotransmission, and many other fundamental biological
processes rely on membrane fusion. Straightforward calculations based on the celebrated …
processes rely on membrane fusion. Straightforward calculations based on the celebrated …
Activation energy and force fields during topological transitions of fluid lipid vesicles
Topological transitions of fluid lipid membranes are fundamental processes for cell life. For
example, they are required for endo-and exocytosis or to enable neurotransmitters to cross …
example, they are required for endo-and exocytosis or to enable neurotransmitters to cross …
Equivalence of charge imbalance and external electric fields during free energy calculations of membrane electroporation
G Kasparyan, JS Hub - Journal of Chemical Theory and …, 2023 - ACS Publications
Electric fields across lipid membranes play important roles in physiology, medicine, and
biotechnology, rationalizing the wide interest in modeling transmembrane potentials in …
biotechnology, rationalizing the wide interest in modeling transmembrane potentials in …
Membrane Tension Inhibits Lipid Mixing by Increasing the Hemifusion Stalk Energy
Fusion of biological membranes is fundamental in various physiological events. The fusion
process involves several intermediate stages with energy barriers that are tightly dependent …
process involves several intermediate stages with energy barriers that are tightly dependent …
Modulating membrane fusion through the design of fusogenic DNA circuits and bilayer composition
Membrane fusion is a ubiquitous phenomenon linked to many biological processes, and
represents a crucial step in liposome-based drug delivery strategies. The ability to control …
represents a crucial step in liposome-based drug delivery strategies. The ability to control …