Results 91 to 100 of about 1,038,801 (318)

Accelerating Molecular Dynamics Simulation Using Graphics Processing Unit

, 2010
We have developed CUDA-enabled version of a general purpose molecular dynamics simulation code for GPU. Implementation details including parallelization scheme and performance optimization are described.
이식, 오광진, 명훈주
core  

Hyperosmotic stress induces PARP1‐mediated HPF1‐dependent mono(ADP‐ribosyl)ation

FEBS Letters, EarlyView.
Sorbitol‐induced hyperosmotic stress rapidly induces reversible mono(ADP‐ribosyl)ation (MARylation) on PARP1 without the signs of genotoxic signaling. We show that PARP1 autoMARylation is HPF1 dependent and forms hydroxylamine‐resistant O‐glycosidic linkages.
Anna Georgina Kopasz, Mihály Mérey, Rebeka Vásárhelyi, Ramóna Pék, Victor Imburchia, László Henn, Adrián Kószó, Nicholas D. Lakin, Ivan Ahel, Sébastien Huet, Ágnes Czibula, Gyula Timinszky   +11 more
wiley   +1 more source

Deep tissue space-gated microscopy via acousto-optic interaction

Nature Communications, 2020
In ideal diffraction-limited optical microscopy imaging depth is limited by the multiply scattered wave. Here, the authors present a space gating method, based on an acoustic focus in the object plane and reconstruction using only the acousto-optically ...
Mooseok Jang, Hakseok Ko, Jin Hee Hong, Won Kyu Lee, Jae-Seung Lee, Wonshik Choi   +5 more
doaj   +1 more source

Linking neurogenesis, oligodendrogenesis, and myelination defects to neurodevelopmental disruption in primary mitochondrial disorders

FEBS Letters, EarlyView.
Mitochondrial remodeling shapes neural and glial lineage progression by matching metabolic supply with demand. Elevated OXPHOS supports differentiation and myelin formation, while myelin compaction lowers mitochondrial dependence, revealing mitochondria as key drivers of developmental energy adaptation.
Sahitya Ranjan Biswas, Porter L. Tomsick, Alicia M. Pickrell, Paul D. Morton   +3 more
wiley   +1 more source

Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach

Communications Chemistry
Muramyl ligases are multidomain enzymes involved in intracellular steps of bacterial peptidoglycan synthesis and are considered promising targets for the development of new antibacterial agents.
Iza Ogris, Barbara Zupančič, Izidor Sosič, Franci Merzel, Simona Golič Grdadolnik   +4 more
doaj   +1 more source

An isoform of 14‐3‐3 protein regulates transbilayer lipid movement at the plasma membrane

FEBS Letters, EarlyView.
Loss of 14‐3‐3ζ in CHO cells confers resistance to exogenous phosphatidylserine (PS) and impairs endocytosis‐independent inward flip‐flop of fluorescent PS at the plasma membrane. RNAi‐mediated knockdown reproduces this defect, while no additive effect is seen in ATP11C‐deficient cells.
Akiko Yamaji‐Hasegawa, Akira Hattori, Masafumi Tsujimoto, Toshihide Kobayashi   +3 more
wiley   +1 more source

A Multiscalling Constant Lambda Molecular Dynamic Gromacs Implementation [PDF]

, 2009
Molecular dynamics is one of the methods used now-a-days by the scientific community to study the property of polymers. This paper presents a new method for multiscaling molecular dynamics that combines the advantages of fine-grained and coarse grained ...
Marrink, Siewert; id_orcid, Goga, Nicolae, Marrink, Siewert, Costache, Stefania   +3 more
core  

Mimicking the action of folding chaperones in molecular dynamics simulations: Application to the refinement of homology-based protein structures

, 2004
A novel method for the refinement of misfolded protein structures is proposed in which the properties of the solvent environment are oscillated in order to mimic some aspects of the role of molecular chaperones play in protein folding in vivo ...
Mark, A. E., Fan, H., Alan E. Mark, Mark, A.E., Hao Fan   +4 more
core   +1 more source

Organizing the interface—Plasma membrane architecture and receptor dynamics in virus‐cell interactions

FEBS Letters, EarlyView.
Plasma membranes contain dynamic nanoscale domains that organize lipids and receptors. Because viruses operate at similar scales, this architecture shapes early infection steps, including attachment, receptor engagement, and entry. Using influenza A virus and HIV‐1 as examples, we highlight how receptor nanoclusters, multivalent glycan interactions ...
Jan Schlegel, Christian Sieben
wiley   +1 more source

Observation of a phonon bottleneck in copper-doped colloidal quantum dots

Nature Communications, 2019
Weak electron-phonon scattering that can enable long-lived hot electrons in semiconductors is of interest in hot carrier solar cells. Here, the authors report copper-doped colloidal cadmium-selenide quantum dots with hot electron lifetime extended by ...
Lifeng Wang, Zongwei Chen, Guijie Liang, Yulu Li, Runchen Lai, Tao Ding, Kaifeng Wu   +6 more
doaj   +1 more source