Scaffolding protein functional sites using deep learning

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Over the past two decades, protein S-acylation (often referred to as S-palmitoylation) has emerged as an important regulator of vital signalling pathways. S-Acylation is a reversible post-translational modification that involves the attachment of a fatty a ...

Deep neural networks (DNNs) are receiving increasing attention in wind power forecasting due to their ability to effectively capture complex patterns in wind data. However, their forecast errors are severely limited by the local optimal weight issue in opt ...

“You never forget how to ride a bike”, – but how is that possible? The brain is able to learn complex skills, stop the practice for years, learn other skills in between, and still retrieve the original knowledge when necessary. The mechanisms of this capab ...

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

The Internet of Things (IoT) consists of physical objects and devices embedded with network connectivity, software, and sensors to collect and transmit data. The development of the Internet of Things (IoT) has led to various security and privacy issues, in ...

Microsecond time-resolved cryo-electron microscopy has emerged as a novel approach for directly observing protein dynamics. By providing microsecond temporal and near-atomic spatial resolution, it has the potential to elucidate a wide range of dynamics tha ...

The synthesis of complex sugars is a key aspect of microbial biology. Cyclic beta-1,2-glucan (C beta G) is a circular polysaccharide critical for host interactions of many bacteria, including major pathogens of humans (Brucella) and plants (Agrobacterium). ...

FDTD/FEM simulations, strengthened by machine learning, achieve 95.44% optical absorption efficiency in TiO 2 /TiN plasmonic nanocavities for solar energy harvesting. ...

Animals have to navigate complex environments and perform intricate swimming maneuvers in the real world. To conquer these challenges, animals evolved a variety of motion control strategies. While it is known that many factors contribute to motion control, ...

Analysis of single-cell datasets generated from diverse organisms offers unprecedented opportunities to unravel fundamental evolutionary processes of conservation and diversification of cell types. However, interspecies genomic differences limit the joint ...

Real-time bioaerosol monitoring is improving the quality of life for people affected by allergies, but it often relies on deep learning models which pose challenges for widespread adoption. These models are typically trained in a supervised fashion and req ...

Modern computing has enhanced our understanding of how social interactions shape collective behaviour in animal societies. Although analytical models dominate in studying collective behaviour, this study introduces a deep learning model to assess social in ...

Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for adaptable learnin ...

In this thesis, we study two closely related directions: robustness and generalization in modern deep learning. Deep learning models based on empirical risk minimization are known to be often non-robust to small, worst-case perturbations known as adversari ...

Neurons in the human amygdala and hippocampus are classically thought to encode a person’s identity invariant to visual features. However, it remains largely unknown how visual information from higher visual cortical areas is translated into such a semanti ...

Advanced Energy Materials published by Wiley-VCH GmbH.High-temperature solid oxide cells are highly efficient energy converters. However, their lifetime is limited by rapid deactivation. Little is known about the local, atomic scale transformation that dri ...

Chaperones ensure protein homeostasis and are conserved across species. The ATP-dependent chaperone Hsp90 is present from bacteria to eukaryotes, where it stabilizes and activates a wide range of substrate proteins called clients. However, what determines ...

This dataset contains a collection of ultrafast ultrasound acquisitions from nine volunteers and the CIRS 054G phantom. For a comprehensive understanding of the dataset, please refer to the paper: Viñals, R.; Thiran, J.-P. A KL Divergence-Based Loss for In ...

The R257(8)C mutation in smooth muscle actins, ACTG2 and ACTA2, is the most frequent cause of severe genetic diseases: namely, visceral myopathy, and familial thoracic aortic aneurysms and dissections, which respectively, stem from impairment of the viscer ...

Scaffolding protein functional sites using deep learning

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Mechanisms and functions of protein S-acylation

Improving the accuracy and interpretability of neural networks for wind power forecasting

Context selectivity with dynamic availability enables lifelong continual learning

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

GraphFedAI framework for DDoS attack detection in IoT systems using federated learning and graph based artificial intelligence

Microsecond time-resolved cryo-electron microscopy

Structure-function analysis of the cyclic β-1,2-glucan synthase from Agrobacterium tumefaciens

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Self-supervised and few-shot learning for robust bioaerosol monitoring

Predicting the long-term collective behaviour of fish pairs with deep learning

Integrating Physics and Topology in Neural Networks for Learning Rigid Body Dynamics

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Feature-based encoding of face identity by single neurons in the human amygdala and hippocampus

Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells

Subtle variations in a client protein determine bacterial Hsp90 dependence

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Dynamical features of smooth muscle actin pathological mutants: The arginine-257(258)-Cysteine cases

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