Results 111 to 120 of about 6,717,903 (305)

Inhibition of dipeptidyl peptidase 7 impairs lysophagy in LLOMe‐treated HepG2 cells

FEBS Letters, EarlyView.
DPP7 inhibition delays ubiquitin‐dependent lysophagy by attenuating ubiquitin accumulation and the recruitment of SQSTM1 and LC3 to damaged lysosomes, resulting in delayed clearance of damaged lysosomes and impaired restoration of lysosomal homeostasis. Created using FigureLabs (Certificate ID: FL‐PUB‐20260922‐Z99XNX).
Na Yeon Park, Inho Kwon, Yong Hwan Kim, Ji‐Eun Bae, Joon Bum Kim, Seong Hyun Kim, Sungho Maeng, Doo Sin Jo, Dong‐Hyung Cho   +8 more
wiley   +1 more source

The Best DFT Functional Is the Ensemble of Functionals

Advanced Science
The development of better density functional theory (DFT) methods is one of the most active research areas, given the importance of DFT for ubiquitous molecular and materials simulations.
Yuting Rui, Yuxinxin Chen, Elena Ivanova, Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski, Pavlo O. Dral   +6 more
doaj   +1 more source

Going viral − Virus‐targeting nanobodies for research, diagnostics and therapy

FEBS Letters, EarlyView.
The increasing prevalence of viral diseases represents a major threat for global human health. Nanobodies, small binding fragments derived from camelid heavy‐chain antibodies, offer versatile tools for viral research, diagnostics, and antiviral therapy.
Domenic Ebert, Ulrich Rothbauer
wiley   +1 more source

Unlocking the potential of cell‐permeable nanobodies for intracellular applications

FEBS Letters, EarlyView.
This review outlines current strategies for delivery of nanobodies into cells and highlights recent examples of functional applications. By addressing and manipulating intracellular targets, these molecules hold great potential for treating cancer, respiratory diseases and neurological disorders, making this a vibrant area of research in the biomedical
Mariona Gené‐Verdés, Luise Franz, Christian P.R. Hackenberger   +2 more
wiley   +1 more source

Atomistic Corrective Scheme for Supercell Density Functional Theory Calculations of Charged Defects

Scientific Reports, 2017
A new method to correct formation energies of charged defects obtained by supercell density-functional calculations is presented and applied to bulk, surface, and low-dimensional systems.
Tengfei Cao, Angelo Bongiorno
doaj   +1 more source

Zirconium microclusters: molecular-dynamics simulations and density functional calculations

, 2000
Structural stability and energetics of zirconium microclusters Zr, (n = 3-13) have been investigated by molecular-dynamics simulations and density functional calculations.
Shoichi Tachimori, Erkoç, Şakir, Masaru Hirata, Tachimori, S, Turgut Baştuğ, Hirata, M, Bastug, T, Şakir Erkoç, Erkoc, S   +8 more
core   +1 more source

How structural disorder and polyelectrolyte properties of prothymosin α enable its large interactome

FEBS Letters, EarlyView.
In this review, complexes of the fully disordered and highly negatively charged prothymosin α are collected, described, and discussed. Linked to its poly‐electrostatic character, prothymosin α engages a large interactome through multiple different binding modes ranging from fully disordered complexes to short linear motif (SLiM)‐driven interactions ...
Ketty C. Tamburrini, Freia S. Buus, Benjamin Schuler, Birthe B. Kragelund   +3 more
wiley   +1 more source

Exponential integrators in time-dependent density-functional calculations

Physical Review E, 2017
The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn--Sham equations. Popular time propagation methods used in physics, as well as other robust numerical approaches, are compared to these exponential integrator methods in order to judge the relative merit of the computational ...
Kidd, Daniel, Covington, Cody, Varga, Kalman   +2 more
openaire   +4 more sources

Tumour–host interactions in Drosophila: mechanisms in the tumour micro‐ and macroenvironment

Molecular Oncology, EarlyView.
This review examines how tumour–host crosstalk takes place at multiple levels of biological organisation, from local cell competition and immune crosstalk to organism‐wide metabolic and physiological collapse. Here, we integrate findings from Drosophila melanogaster studies that reveal conserved mechanisms through which tumours hijack host systems to ...
José Teles‐Reis, Tor Erik Rusten
wiley   +1 more source

Correction to “Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions”

, 2015
Correction to “Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis ...
Laura Gagliardi (1279068), Donald G. Truhlar (1266384), Chad E. Hoyer (1364616)   +2 more
core   +1 more source