Results 101 to 110 of about 56,790 (264)

Extending h adaptivity with refinement patterns

CoRR
This contribution introduces the idea of refinement patterns for the generation of optimal meshes in the context of the Finite Element Method. The main idea is to generate a library of possible patterns on which elements can be refined and use this library to inform an h adaptive code on how to handle complex refinements in regions of interest.
Giovane Avancini, Nathan Shauer, Francisco T. Orlandini, Paulo Cesar A. Lucci, Philippe R. B. Devloo   +4 more
openaire   +2 more sources

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

Efficient adaptive Cartesian mesh generation for complex boundary representation models

Graphical Models
Cartesian mesh-based fluid simulation methods are gaining popularity due to their fully automated mesh generation capabilities for geometries without repair.
Xiang Gao, Qingyang Zhang, Chunye Gong, Chao Li, Xiaowei Guo, Jie Liu   +5 more
doaj   +1 more source

Versatile vector tools for efficient protein screening across multiple expression systems

FEBS Open Bio, EarlyView.
A unified vector toolkit enables rapid protein expression screening across E. coli, insect, and mammalian cells. A single primer pair amplifies the target gene, which is inserted into any vector via a standardized interface. This streamlined workflow eliminates repeated cloning steps, accelerating the identification of optimal expression conditions for
Zhimin Zhu, Yaqing Liu, Lei Qin, Feng Yu, Qisheng Wang, Yahui Liu   +5 more
wiley   +1 more source

Quantum adaptive search: a hybrid quantum-classical algorithm for global optimization of multivariate functions

Frontiers in Applied Mathematics and Statistics
IntroductionWe present Quantum Adaptive Search (QAGS), a hybrid quantum-classical algorithm for global optimization of multivariate functions. The method employs an adaptive mechanism that dynamically narrows the search space based on a quantum-estimated
Gabriele Intoccia, Ugo Chirico, Ugo Chirico, Vincenzo Schiano Di Cola, Giovanni Piero Pepe, Giovanni Piero Pepe, Salvatore Cuomo   +6 more
doaj   +1 more source

UiO‐66 metal–organic frameworks in biomedicine: From structural tunability to bioimaging, photodiagnostics, and photodynamic cancer therapy

FEBS Open Bio, EarlyView.
UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová, Grigorii Rakhalskii, Miroslav Almáši   +2 more
wiley   +1 more source

High-resolution numerical simulation of rotating detonation waves with parallel adaptive mesh refinement

Applications in Energy and Combustion Science
Simulations of rotating detonation engines are still dominated by solvers on uniform or statically refined meshes. Here, simulations of premixed rotating detonation waves are conducted using the block-structured adaptive mesh refinement (SAMR) technique.
Han Peng, Ralf Deiterding
doaj   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Transcripts enriched in codons that trigger P‐site tRNA‐mediated mRNA decay possess stable mRNA

FEBS Open Bio, EarlyView.
PTMD codons were first described by Mendel et al. as mediators of an mRNA decay pathway dependent on the human protein CNOT3, homologous to yeast Not5. Our findings confirm that PTMD codons destabilize transcripts; however, unlike in yeast, the human pathway specifically targets and slightly destabilizes primarily stable mRNAs.
Rodolfo Lopes Carneiro, Fernando Lucas Palhano   +1 more
wiley   +1 more source