Results 61 to 70 of about 921,873 (354)

FoxO1 signaling in B cell malignancies and its therapeutic targeting

FEBS Letters, EarlyView.
FoxO1 has context‐specific tumor suppressor or oncogenic character in myeloid and B cell malignancies. This includes tumor‐promoting properties such as stemness maintenance and DNA damage tolerance in acute leukemias, or regulation of cell proliferation and survival, or migration in mature B cell malignancies.
Krystof Hlavac, Petra Pavelkova, Laura Ondrisova, Marek Mraz   +3 more
wiley   +1 more source

Dynamic density functional theory of multicomponent cellular membranes

Physical Review Research, 2023
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be extended to ...
L. G. Stanton, T. Oppelstrup, T. S. Carpenter, H. I. Ingólfsson, M. P. Surh, F. C. Lightstone, J. N. Glosli   +6 more
doaj   +1 more source

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

FEBS 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

JDFTx: Software for joint density-functional theory

SoftwareX, 2017
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science.
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A. Schwarz, Deniz Gunceler, Yalcin Ozhabes, T.A. Arias   +5 more
doaj   +1 more source

Antioxidant Properties of Kynurenines: Density Functional Theory Calculations. [PDF]

PLoS Computational Biology, 2016
Kynurenines, the main products of tryptophan catabolism, possess both prooxidant and anioxidant effects. Having multiple neuroactive properties, kynurenines are implicated in the development of neurological and cognitive disorders, such as Alzheimer's ...
Aleksandr V Zhuravlev, Gennady A Zakharov, Boris F Shchegolev, Elena V Savvateeva-Popova   +3 more
doaj   +1 more source

Multicomponent Density-Functional Theory [PDF]

, 2006
The coupling between electronic and nuclear motion plays an essential role in a wide range of physical phenomena.
E. K. U. Gross, R. van Leeuwen
openaire   +3 more sources

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

FEBS 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, Izadora Volpato Rossi, Marcel I. Ramirez   +2 more
wiley   +1 more source

A stepwise emergence of evolution in the RNA world

FEBS Letters, EarlyView.
How did biological evolution emerge from chemical reactions? This perspective proposes a gradual scenario of self‐organization among RNA molecules, where catalytic feedback on random mixtures plays the central role. Short oligomers cross‐ligate, and self‐assembly enables heritable variations. An event of template‐externalization marks the transition to
Philippe Nghe
wiley   +1 more source

Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics

Molecules, 2019
We apply the formally exact quantum power functional framework (J. Chem. Phys. 2015, 143, 174108) to a one-dimensional Hooke’s helium model atom. The physical dynamics are described on the one-body level beyond the density-based adiabatic approximation ...
Moritz Brütting, Thomas Trepl, Daniel de las Heras, Matthias Schmidt   +3 more
doaj   +1 more source

Implicit self-consistent electrolyte model in plane-wave density-functional theory.

Journal of Chemical Physics, 2016
The ab initio computational treatment of electrochemical systems requires an appropriate treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface is computationally demanding due to the large number of degrees of ...
K. Mathew, V. S. Chaitanya Kolluru, Srinidhi Mula, S. Steinmann, Richard G. Hennig   +4 more
semanticscholar   +1 more source