Results 71 to 80 of about 1,038,801 (318)

Molecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain

, 2007
A series of molecular dynamics simulations in explicit solvent were started from nine structural models of the transition state of the SH3 domain of alpha-spectrin, which were generated by Lindorff Larsen et al.
Mark, AE, Vendruscolo, Michele, Mark, Alan E., Vendruscolo, M, Alan E. Mark, Periole, X, Periole, Xavier, Xavier Periole, Michele Vendruscolo   +8 more
core   +1 more source

Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations [PDF]

, 2009
The molecular packing details of lipids in planar bilayers are well characterized. For curved bilayers, however, little data is available. In this paper we study the effect of temperature and membrane composition on the structural and dynamical ...
Marrink, Siewert J.,, Marrink, Siewert J.; id_orcid, Marrink, Siewert J., Risselada, H. Jelger, Risselada, H. Jelger,   +4 more
core   +1 more source

An upstream open reading frame regulates expression of the mitochondrial protein Slm35 and mitophagy flux

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, Ariann E. Mendoza‐Martínez, P. Abril Medina‐Flores, Carlos Campero‐Basaldua, Alexander DeLuna, Soledad Funes   +5 more
wiley   +1 more source

Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction

Nature Communications, 2017
It is commonly held that van der Waals wells are inevitable in chemical reactions. Here, the authors show that weak van der Waals forces in the entrance channel of a prototypical complex-forming reaction cause a van der Waals saddle instead, with ...
Zhitao Shen, Haitao Ma, Chunfang Zhang, Mingkai Fu, Yanan Wu, Wensheng Bian, Jianwei Cao   +6 more
doaj   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Increased intracellular crowding during hyperosmotic stress

Scientific Reports, 2023
Hyperosmotic stress activates in live cells numerous processes and also promotes intracellular protein/RNA aggregation and phase separation. However, the time course and the extent of these changes remain largely uncharacterized.
Akira Kitamura, Sho Oasa, Haruka Kawaguchi, Misato Osaka, Vladana Vukojević, Masataka Kinjo   +5 more
doaj   +1 more source

Exploring SIMD for molecular dynamics, using Intel Xeon processors and Intel Xeon Phi coprocessors [PDF]

, 2013
We analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD
Jarvis, S. A.; id_orcid, Simon J. Pennycook, Smelyanskiy, M., S.A. Jarvis, Pennycook, Simon J., Chris J. Hughes, M. Smelyanskiy, Hughes, C. J., Hughes, Chris J., Jarvis, Stephen A.   +9 more
core   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source

Label-free neuroimaging in vivo using synchronous angular scanning microscopy with single-scattering accumulation algorithm

Nature Communications, 2019
A major challenge of in vivo imaging is imaging deeper, including in turbid tissue. The authors report an adaptive optics based microscope that uses coherent single scattering signal to reduce sample-induced aberrations and enable fast deep-tissue ...
Moonseok Kim, Yonghyeon Jo, Jin Hee Hong, Suhyun Kim, Seokchan Yoon, Kyung-Deok Song, Sungsam Kang, Byunghak Lee, Guang Hoon Kim, Hae-Chul Park, Wonshik Choi   +10 more
doaj   +1 more source

Organ‐specific redox imbalances in spinal muscular atrophy mice are partially rescued by SMN antisense oligonucleotides

FEBS Letters, EarlyView.
We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley   +1 more source