Results 71 to 80 of about 112,044 (333)

Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations [PDF]

MRS Communications, 2019
Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the trade-off between accuracy and computational cost.
Logan T. Ward, B. Blaiszik, Ian T. Foster, R. Assary, B. Narayanan, L. Curtiss   +5 more
semanticscholar   +1 more source

Crosstalk between the ribosome quality control‐associated E3 ubiquitin ligases LTN1 and RNF10

FEBS Letters, EarlyView.
Loss of the E3 ligase LTN1, the ubiquitin‐like modifier UFM1, or the deubiquitinating enzyme UFSP2 disrupts endoplasmic reticulum–ribosome quality control (ER‐RQC), a pathway that removes stalled ribosomes and faulty proteins. This disruption may trigger a compensatory response to ER‐RQC defects, including increased expression of the E3 ligase RNF10 ...
Yuxi Huang, Satoshi Hashimoto, Sota Ito, Chisato Kikuguchi, Miho Hoshi, Kiyoshi Yamaguchi, Yoichi Furukawa, Toru Suzuki, Toshifumi Inada   +8 more
wiley   +1 more source

Computational Studies of Air-Mist Spray Cooling in Continuous Casting

Energies, 2021
Due to the significant reduction in water droplet size caused by the strong air-water interaction in the spray nozzle, air-mist spray is one of the promising technologies for achieving high-rate heat transfer.
Vitalis Anisiuba, Haibo Ma, Armin Silaen, Chenn Zhou   +3 more
doaj   +1 more source

Peptide‐based ligand antagonists block a Vibrio cholerae adhesin

FEBS Letters, EarlyView.
The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang, Grace Du, Charity Yongo‐Luwawa, Angelina Lu, Brett Kinrade, Kim Munro, Karl E. Klose, William D. Lubell, Peter Davies, Shuaiqi Guo   +9 more
wiley   +1 more source

Systematically convergent method for accurate total energy calculations with localized atomic orbitals

, 2010
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way.
Azadi, S., Cavazzoni, C., Sorella, S.
core   +1 more source

Interplay between circadian and other transcription factors—Implications for cycling transcriptome reprogramming

FEBS Letters, EarlyView.
This perspective highlights emerging insights into how the circadian transcription factor CLOCK:BMAL1 regulates chromatin architecture, cooperates with other transcription factors, and coordinates enhancer dynamics. We propose an updated framework for how circadian transcription factors operate within dynamic and multifactorial chromatin landscapes ...
Xinyu Y. Nie, Jerome S. Menet
wiley   +1 more source

Atomization Control to Improve Soft Actuation Through Vaporization

Frontiers in Robotics and AI, 2021
Soft actuation through droplet evaporation has significantly improved the actuation speed of methods that utilize liquid vaporization. Instead of boiling bulk liquid, this method implements atomization to disperse small droplets into a heater. Due to the
Han-Joo Lee, Han-Joo Lee, Esteban Guerra-Bravo, Arturo Baltazar, Kenneth J. Loh, Kenneth J. Loh, Kenneth J. Loh   +6 more
doaj   +1 more source

Scale-up of electrospray atomization using linear arrays of Taylor cones [PDF]

, 1993
Linear arrays of Taylor cones were established on capillary electrode tubes opposite a slotted flat plate counterelectrode to investigate the feasibility of increasing the liquid throughput rate in electrospray atomizers.
Flagan, Richard C., Rulison, Aaron J.
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, Tanmay Kumar Mohanty, Rashna Bhandari, Dorothea Fiedler   +3 more
wiley   +1 more source

Function‐driven design of a surrogate interleukin‐2 receptor ligand

FEBS Letters, EarlyView.
Interleukin (IL)‐2 signaling can be achieved and precisely fine‐tuned through the affinity, distance, and orientation of the heterodimeric receptors with their ligands. We designed a biased IL‐2 surrogate ligand that selectively promotes effector T and natural killer cell activation and differentiation. Interleukin (IL) receptors play a pivotal role in
Ziwei Tang, Zelin Cheng, Teng Li, Fulian Wang, Liangminghui Zhang, Xiuxiu He, Lili Liu, Wei Wang, Aibin Liang, Guang Yang   +9 more
wiley   +1 more source