Results 91 to 100 of about 4,460 (214)

Predicting Atomistic Transitions with Transformers

Data Science in Science
Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive ...
Henry Tischler, Wenting Li, Qi Tang, Danny Perez, Thomas Vogel   +4 more
doaj   +1 more source

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Computational Optimisation of Urban Design Models: A Systematic Literature Review

Urban Science
The densification of urban spaces globally has contributed to a need for design tools supporting the planning of more sustainable, efficient, and liveable cities.
JingZhi Tay, Frederick Peter Ortner, Thomas Wortmann, Elif Esra Aydin   +3 more
doaj   +1 more source

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Generative latent neural PDE solver using flow matching

Machine Learning: Science and Technology
Autoregressive next-step prediction models have become standard for building data-driven neural solvers to predict time-dependent partial differential equations (PDEs).
Zijie Li, Anthony Zhou, Amir Barati Farimani   +2 more
doaj   +1 more source

Assessment of Surrogate Models for Research on Resistance and Deformation of Repairs of the Human Meniscal Roots: Porcine or Older Human Models?

Applied Sciences
Meniscal root repair is not routinely recommended for patients over 75 years old, yet surrogate age-unrestricted human or porcine models are used for its evaluation.
Alejandro Peña-Trabalon, Ana Perez-Blanca, Salvador Moreno-Vegas, M. Belen Estebanez-Campos, Maria Prado-Novoa   +4 more
doaj   +1 more source

Conditional Denoising Model as a Physical Surrogate Model

CoRR
Surrogate modeling for complex physical systems typically faces a trade-off between data-fitting accuracy and physical consistency. Physics-consistent approaches typically treat physical laws as soft constraints within the loss function, a strategy that frequently fails to guarantee strict adherence to the governing equations, or rely on post ...
José Afonso, Pedro Viegas, Rodrigo Ventura 0001, Vasco Guerra   +3 more
openaire   +2 more sources

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

Multi-Objective Optimization of Building Energy Consumption: A Case Study of Temporary Buildings on Construction Sites

Buildings
Building energy consumption management significantly impacts energy efficiency, environmental effects, and economic benefits throughout a building’s life cycle.
Xiaohui Guo, Yuanfeng Wang, Yinshan Liu, Lei Fan, Shaoqin Xue, Chengcheng Shi, Lei Pan, Boqun Zhang, Liping Wang, Xinlei Chang   +9 more
doaj   +1 more source