Results 61 to 70 of about 855,474 (292)
Weighted Density Approximation Description of Insulating YH$_3$ and LaH$_3$
, 2003 Density functional calculations within the weighted density approximation (WDA) are presented for YH$_3$ and LaH$_3$. We investigate some commonly used pair-distribution functions G.
Cohen, R. E. +4 more
core +1 more source
Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation
FEBS Letters, EarlyView.Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe +3 more
wiley +1 more source
Surface relaxation and ferromagnetism of Rh(001)
, 1997 The significant discrepancy between first-principles calculations and experimental analyses for the relaxation of the (001) surface of rhodium has been a puzzle for some years.
A. Eichler +32 more
core +1 more source
The newfound relationship between extrachromosomal DNAs and excised signal circles
FEBS Letters, EarlyView.Extrachromosomal DNAs (ecDNAs) contribute to the progression of many human cancers. In addition, circular DNA by‐products of V(D)J recombination, excised signal circles (ESCs), have roles in cancer progression but have largely been overlooked. In this Review, we explore the roles of ecDNAs and ESCs in cancer development, and highlight why these ...
Dylan Casey, Zeqian Gao, Joan Boyes
wiley +1 more source
Density functional theory calculations of point defects and hydrogen isotopes in Li4SiO4
AIP Advances, 2015 The Li4SiO4 is a promising breeder material for future fusion reactors. Radiation induced vacancies and hydrogen isotope related impurities are the major types of point defects in this breeder material.
Xiaogang Xiang +10 more
doaj +1 more source
Particle-Number Restoration within the Energy Density Functional Formalism
, 2009 We give a detailed analysis of the origin of spurious divergences and finite steps that have been recently identified in particle-number restoration calculations within the nuclear energy density functional framework.
A. L. Goodman +11 more
core +3 more sources
FEBS Letters, EarlyView.This study reveals how the mitochondrial protein Slm35 is regulated in Saccharomyces cerevisiae. The authors identify stress‐responsive DNA elements and two upstream open reading frames (uORFs) in the 5′ untranslated region of SLM35. One uORF restricts translation, and its mutation increases Slm35 protein levels and mitophagy.
Hernán Romo‐Casanueva +5 more
wiley +1 more source
The Substitution Effects on Structural and Electronic Parameters of PbTe–Based Solid Solutions
Фізика і хімія твердого тіла, 2020 Calculations by ab initio methods of equilibrium positions of atoms in the structure, electron density distribution, total energy and frequencies and intensities of infrared vibrational spectra of binary and ternary compounds based on lead chalcogenides.
B.P. Naidych, O.B. Kostyuk
doaj +1 more source
Endohedral terthiophene in zigzag carbon nanotubes: Density functional calculations
, 2006 The inclusion and encapsulation of terthiophene (T3) molecules inside zigzag single-walled carbon nanotubes (CNTs) is addressed by density functional calculations.
J. Yang +5 more
core +2 more sources
In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS
FEBS Letters, EarlyView.We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka +11 more
wiley +1 more source