Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
[HTML][HTML] Studying rare events using forward-flux sampling: Recent breakthroughs and future outlook
S Hussain, A Haji-Akbari - The Journal of Chemical Physics, 2020 - pubs.aip.org
Rare events are processes that occur upon the emergence of unlikely fluctuations. Unlike
what their name suggests, rare events are fairly ubiquitous in nature, as the occurrence of …
what their name suggests, rare events are fairly ubiquitous in nature, as the occurrence of …
Charge me slowly, I am in a hurry: Optimizing charge–discharge cycles in nanoporous supercapacitors
Nanoporous supercapacitors attract much attention as green energy storage devices with
remarkable cyclability and high power and energy densities. However, their use in high …
remarkable cyclability and high power and energy densities. However, their use in high …
Modeling the magnetostriction effect in elastomers with magnetically soft and hard particles
We analyze theoretically the field-induced microstructural deformations in a hybrid
elastomer, that consists of a polymer matrix filled with a mixture of magnetically soft and …
elastomer, that consists of a polymer matrix filled with a mixture of magnetically soft and …
Manipulation of contact angle hysteresis at electrified ionic liquid-solid interfaces
P Nie, X Jiang, X Zheng, D Guan - Physical Review Letters, 2024 - APS
Room-temperature ionic liquids (RTILs) are intriguing fluids that have drawn much attention
in applications ranging from tribology and catalysis to energy storage. With strong …
in applications ranging from tribology and catalysis to energy storage. With strong …
Importance of matrix inelastic deformations in the initial response of magnetic elastomers
PA Sánchez, T Gundermann, A Dobroserdova… - Soft Matter, 2018 - pubs.rsc.org
Being able to predict and understand the behaviour of soft magnetic materials paves the
way to their technological applications. In this study we analyse the magnetic response of …
way to their technological applications. In this study we analyse the magnetic response of …
Self-organization in dipolar cube fluids constrained by competing anisotropies
For magnetite spherical nanoparticles, the orientation of the dipole moment in the crystal
does not affect the morphology of either zero field or field induced structures. For non …
does not affect the morphology of either zero field or field induced structures. For non …
Surface relief of magnetoactive elastomeric films in a homogeneous magnetic field: molecular dynamics simulations
PA Sánchez, ES Minina, SS Kantorovich… - Soft Matter, 2019 - pubs.rsc.org
The structure of a thin magnetoactive elastomeric (MAE) film adsorbed on a solid substrate
is studied by molecular dynamics simulations. Within the adopted coarse-grained approach …
is studied by molecular dynamics simulations. Within the adopted coarse-grained approach …
Cell-free layer of red blood cells in a constricted microfluidic channel under steady and time-dependent flow conditions
SM Recktenwald, K Graessel, Y Rashidi, JN Steuer… - Physical Review …, 2023 - APS
Constricted blood vessels in the circulatory system can severely impact the spatiotemporal
organization of red blood cells (RBCs) causing various physiological complications. In …
organization of red blood cells (RBCs) causing various physiological complications. In …
Clustering of microscopic particles in constricted blood flow
C Bächer, L Schrack, S Gekle - Physical Review Fluids, 2017 - APS
A mixed suspension of red blood cells (RBCs) and microparticles flows through a cylindrical
channel with a constriction mimicking a stenosed blood vessel. Our three-dimensional …
channel with a constriction mimicking a stenosed blood vessel. Our three-dimensional …