Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
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 …

Mechanism of membrane fusion: interplay of lipid and peptide

A Joardar, GP Pattnaik, H Chakraborty - The Journal of Membrane Biology, 2022 - Springer
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 …

[HTML][HTML] Computational modeling of membrane trafficking processes: From large molecular assemblies to chemical specificity

D Alvarez, J Sapia, S Vanni - Current Opinion in Cell Biology, 2023 - Elsevier
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 …

Dynamic fusion of nucleic acid functionalized nano-/micro-cell-like containments: from basic concepts to applications

Z Li, J Wang, MP O'Hagan, F Huang, F Xia, I Willner - ACS nano, 2023 - ACS Publications
Membrane fusion processes play key roles in biological transformations, such as
endocytosis/exocytosis, signal transduction, neurotransmission, or viral infections, and …

Cell-inspired, massive electromodulation of friction via transmembrane fields across lipid bilayers

Y Zhang, D Jin, R Tivony, N Kampf, J Klein - Nature Materials, 2024 - nature.com
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 …

The local variation of the Gaussian modulus enables different pathways for fluid lipid vesicle fusion

M Bottacchiari, M Gallo, M Bussoletti, CM Casciola - Scientific Reports, 2024 - nature.com
Viral infections, fertilization, neurotransmission, and many other fundamental biological
processes rely on membrane fusion. Straightforward calculations based on the celebrated …

Activation energy and force fields during topological transitions of fluid lipid vesicles

M Bottacchiari, M Gallo, M Bussoletti… - Communications …, 2022 - nature.com
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 …

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 …

Membrane Tension Inhibits Lipid Mixing by Increasing the Hemifusion Stalk Energy

P Shendrik, G Golani, R Dharan, US Schwarz… - ACS …, 2023 - ACS Publications
Fusion of biological membranes is fundamental in various physiological events. The fusion
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

M Paez-Perez, IA Russell, P Cicuta, L Di Michele - Soft Matter, 2022 - pubs.rsc.org
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 …