Concept

Prédiction de la structure des protéines

Publications associées (633)

Prolamins' 3D structure: A new insight into protein modeling using the language of numbers and shapes

This study combined protein modeling methods to generate the prolamins' fractions as precise as possible. Hence, gliadins, zeins, kafirins, hordeins, secalins, avenins and oryzins were generated based on their characteristics and disulfide mapping. Finding ...

Elsevier Sci Ltd2024

Predicting protein interactions using geometric deep learning on protein surfaces

Freyr Sverrisson

In the domain of computational structural biology, predicting protein interactions based on molecular structure remains a pivotal challenge. This thesis delves into this challenge through a series of interconnected studies.The first chapter introduces the ...

EPFL2024

Investigating the intra-molecular and inter-molecular effects of post-translational modifications on intrinsically disordered protein regions and structured protein regions

Zhidian Zhang

Post-translational modifications (PTMs) play a pivotal role in regulating protein structure, interaction, and function. Aberrant PTM patterns are associated with diseases. Moreover, individual PTMs have a complex interaction with each other, known as PTM c ...

EPFL2024

Climbing into their Skin to Understand Contextual Protein-Protein Associations and Localizations: Functional Investigations in Transgenic Live Model Organisms

Yimon Aye

Borrowing some quotes from Harper Lee's novel "To Kill A Mockingbird" to help frame our manuscript, we discuss methods to profile local proteomes. We initially focus on chemical biology regimens that function in live organisms and use reactive biotin speci ...

Wiley-V C H Verlag Gmbh2024

Seismic Testing of Adjacent Interacting Masonry Structures – Analysis of a Blind Prediction

Katrin Beyer, Igor Tomic, Andrea Penna

Masonry aggregates, which emerged as layouts of cities and villages became denser, make up historical centres all over the world. In these aggregates, neighbouring structures may share structural walls that are joined at the interfaces by mortar or interlo ...

Springer2024

Opportunities and challenges in design and optimization of protein function

Bruno Emanuel Ferreira De Sousa Correia, Casper Alexander Goverde

The field of protein design has made remarkable progress over the past decade. Historically, the low reliability of purely structure-based design methods limited their application, but recent strategies that combine structure-based and sequence-based calcu ...

Nature Portfolio2024

Computational drug development for membrane protein targets

Pierre Vogel, Henning Paul-Julius Stahlberg, Dongchun Ni, Babatunde Edukpe Ekundayo, Shuguang Yuan

The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine learni ...

2024

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

Ksenia Briling, Puck Elisabeth van Gerwen, Yannick Calvino Alonso, Malte Martin Franke

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 ...

Royal Soc Chemistry2024

Federated learning with uncertainty-based client clustering for fleet-wide fault diagnosis

Olga Fink, Hao Lu, Chao Hu

Operators from various industries have been pushing the adoption of wireless sensing nodes for industrial monitoring, and such efforts have produced sizeable condition monitoring datasets that can be used to build diagnosis algorithms capable of warning ma ...

2024

Dynamic Voxels Based on Ego-Conditioned Prediction: An Integrated Spatio-Temporal Framework for Motion Planning

Alexandre Massoud Alahi, Ting Zhang

Prediction is a vital component of motion planning for autonomous vehicles (AVs). By reasoning about the possible behavior of other target agents, the ego vehicle (EV) can navigate safely, efficiently, and politely. However, most of the existing work overl ...

Ieee-Inst Electrical Electronics Engineers Inc2024

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