Results 61 to 70 of about 8,193,792 (388)

Marcus inverted region of charge transfer from low-dimensional semiconductor materials

open access: yesNature Communications, 2021
Marcus inverted region for charge transfer from low-dimensional semiconductor materials has been long sought after. Here, the authors reveal this region by directly measuring charge transfer from single-charge states rather than excitonic states.
Junhui Wang   +5 more
doaj   +1 more source

Insights into PI3K/AKT signaling in B cell development and chronic lymphocytic leukemia

open access: yesFEBS Letters, EarlyView.
This Review explores how the phosphoinositide 3‐kinase and protein kinase B pathway shapes B cell development and drives chronic lymphocytic leukemia, a common blood cancer. It examines how signaling levels affect disease progression, addresses treatment challenges, and introduces novel experimental strategies to improve therapies and patient outcomes.
Maike Buchner
wiley   +1 more source

Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery

open access: yesNature Communications, 2017
The lithium solvation structure in the electrolyte solution for lithium-ion batteries has not been fully understood. Here, the authors show ultrafast fluxional exchange of carbonate solvent molecules in and out of lithium-ion solvation sheath utilizing ...
Kyung-Koo Lee   +6 more
doaj   +1 more source

Making tau amyloid models in vitro: a crucial and underestimated challenge

open access: yesFEBS Letters, EarlyView.
This review highlights the challenges of producing in vitro amyloid assemblies of the tau protein. We review how accurately the existing protocols mimic tau deposits found in the brain of patients affected with tauopathies. We discuss the important properties that should be considered when forming amyloids and the benchmarks that should be used to ...
Julien Broc, Clara Piersson, Yann Fichou
wiley   +1 more source

A review of advancements in coarse-grained molecular dynamics simulations

open access: yesMolecular Simulation, 2020
Over the last few years, coarse-grained molecular dynamics has emerged as a way to model large and complex systems in an efficient and inexpensive manner due to its lowered resolution, faster dynamics, and larger time steps.
Soumil Y. Joshi, Sanket A. Deshmukh
semanticscholar   +1 more source

Discontinuous Molecular Dynamics for Rigid Bodies: Applications

open access: yes, 2006
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions.
de la Pena, Lisandro Hernandez   +3 more
core   +1 more source

The cytoskeletal control of B cell receptor and integrin signaling in normal B cells and chronic lymphocytic leukemia

open access: yesFEBS Letters, EarlyView.
In lymphoid organs, antigen recognition and B cell receptor signaling rely on integrins and the cytoskeleton. Integrins act as mechanoreceptors, couple B cell receptor activation to cytoskeletal remodeling, and support immune synapse formation as well as antigen extraction.
Abhishek Pethe, Tanja Nicole Hartmann
wiley   +1 more source

TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

open access: yesWIREs Computational Molecular Science, 2020
TeraChem was born in 2008 with the goal of providing fast on‐the‐fly electronic structure calculations to facilitate ab initio molecular dynamics studies of large biochemical systems such as photoswitchable proteins and multichromophoric antenna ...
Stefan Seritan   +20 more
semanticscholar   +1 more source

Control-volume representation of molecular dynamics [PDF]

open access: yes, 2012
A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of fluid mechanics is developed by integrating the formulas of Irving and Kirkwood, J. Chem. Phys. 18, 817 (1950) over a finite cubic volume of molecular dimensions. The Lagrangian
A. I. Borisenko   +15 more
core   +2 more sources

Interaction vesicles as emerging mediators of host‐pathogen molecular crosstalk and their implications for infection dynamics

open access: yesFEBS Letters, EarlyView.
Interaction extracellular vesicles (iEVs) are hybrid vesicles formed through host‐pathogen communication. They facilitate immune evasion, transfer pathogens' molecules, increase host cell uptake, and enhance virulence. This Perspective article illustrates the multifunctional roles of iEVs and highlights their emerging relevance in infection dynamics ...
Bruna Sabatke   +2 more
wiley   +1 more source

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