Formation and size distribution of self-assembled vesicles
When detergents and phospholipid membranes are dispersed in aqueous solutions, they
tend to self-assemble into vesicles of various shapes and sizes by virtue of their hydrophobic …
tend to self-assemble into vesicles of various shapes and sizes by virtue of their hydrophobic …
Computer simulation studies of self-assembling macromolecules
Coarse-grained (CG) molecular models are now widely used to understand the structure
and functionality of macromolecular self-assembling systems. In the last few years …
and functionality of macromolecular self-assembling systems. In the last few years …
Understanding the formation mechanism of lipid nanoparticles in microfluidic devices with chaotic micromixers
Lipid nanoparticles (LNPs) or liposomes are the most widely used drug carriers for
nanomedicines. The size of LNPs is one of the essential factors affecting drug delivery …
nanomedicines. The size of LNPs is one of the essential factors affecting drug delivery …
SPICA force field for proteins and peptides
S Kawamoto, H Liu, Y Miyazaki, S Seo… - Journal of Chemical …, 2022 - ACS Publications
A coarse-grained (CG) model for peptides and proteins was developed as an extension of
the Surface Property fItting Coarse grAined (SPICA) force field (FF). The model was …
the Surface Property fItting Coarse grAined (SPICA) force field (FF). The model was …
A strategy for synthesis of lipid nanoparticles using microfluidic devices with a mixer structure
Formation behavior of lipid nanoparticles (LNPs) in microfluidic devices with a staggered
herringbone micromixer (SHM) structure was investigated. The fundamental role for SHMs in …
herringbone micromixer (SHM) structure was investigated. The fundamental role for SHMs in …
Gaussian curvature elasticity determined from global shape transformations and local stress distributions: a comparative study using the MARTINI model
We calculate the Gaussian curvature modulus of a systematically coarse-grained (CG) one-
component lipid membrane by applying the method recently proposed by Hu et al.[Biophys …
component lipid membrane by applying the method recently proposed by Hu et al.[Biophys …
Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism
The effects of membrane curvature on the free energy barrier for membrane fusion have
been investigated using coarse-grained molecular dynamics (CG-MD) simulations …
been investigated using coarse-grained molecular dynamics (CG-MD) simulations …
Revealing thermodynamics and kinetics of lipid self-assembly by Markov state model analysis
Self-assembly is ubiquitous in the realm of biology and has become an elegant bottom-up
approach to fabricate new materials. Although molecular dynamics (MD) simulations can …
approach to fabricate new materials. Although molecular dynamics (MD) simulations can …
Free energy analysis along the stalk mechanism of membrane fusion
S Kawamoto, W Shinoda - Soft matter, 2014 - pubs.rsc.org
The free energy profile of the stalk model of membrane fusion has been calculated using
coarse-grained molecular dynamics simulations. The proposed method guides the lipid …
coarse-grained molecular dynamics simulations. The proposed method guides the lipid …
[HTML][HTML] Free energy analysis of membrane pore formation process in the presence of multiple melittin peptides
Y Miyazaki, S Okazaki, W Shinoda - Biochimica et Biophysica Acta (BBA) …, 2019 - Elsevier
Understanding the molecular mechanism underlying pore formation in lipid membranes by
antimicrobial peptides is of great importance in biological sciences as well as in drug design …
antimicrobial peptides is of great importance in biological sciences as well as in drug design …