Concept

Modélisation de protéines par homologie

Publications associées (116)

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

High-Resolution Modeling Without Computation Slowdown for PETALE in CROCUS

Andreas Pautz, Vincent Pierre Lamirand, Thomas Jean-François Ligonnet, Axel Guy Marie Laureau

In a collaboration between Ecole Polytechnique Fédérale de Lausanne (EPFL) and CEA, in the fall of 2020, the experimental Programme d’Étude en Transmission de l’Acier Lourd et ses Eléments (PETALE) was successfully carried out in the CROCUS reactor of EPFL ...

2024

Short homology bases for hyperelliptic hyperbolic surfaces

Given a hyperelliptic hyperbolic surface S of genus g >= 2, we find bounds on the lengths of homologically independent loops on S. As a consequence, we show that for any lambda is an element of (0, 1) there exists a constant N(lambda) such that every such ...

Jerusalem2023

A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers

Christoph Bostedt, Camila Bacellar Cases Da Silveira

Serial crystallography at X-ray free-electron lasers (XFELs) permits the determination of radiation-damage free static as well as time-resolved protein structures at room temperature. Efficient sample delivery is a key factor for such experiments. Here, we ...

Berlin2023

Mean flow modeling in high-order nonlinear Schrodinger equations

Debbie Eeltink

The evaluation and consideration of the mean flow in wave evolution equations are necessary for the accurate prediction of fluid particle trajectories under wave groups, with relevant implications in several domains, from the transport of pollutants in the ...

2023

Network Alignment With Holistic Embeddings

Thanh Trung Huynh, Quoc Viet Hung Nguyen, Thành Tâm Nguyên, Chi Thang Duong

Network alignment is the task of identifying topologically and semantically similar nodes across (two) different networks. It plays an important role in various applications ranging from social network analysis to bioinformatic network interactions. Howeve ...

IEEE COMPUTER SOC2023

Network Alignment with Holistic Embeddings (Extended Abstract)

Thanh Trung Huynh, Quoc Viet Hung Nguyen, Thành Tâm Nguyên

Network alignment is the task of identifying topologically and semantically similar nodes across (two) different networks. However, existing alignment models either cannot handle large-scale graphs or fail to leverage different types of network information ...

IEEE COMPUTER SOC2022

Meta Transfer Learning for Early Success Prediction in MOOCs

Vinitra Swamy, Mirko Marras

Despite the increasing popularity of massive open online courses (MOOCs), many suffer from high dropout and low success rates. Early prediction of student success for targeted intervention is therefore essential to ensure no student is left behind in a cou ...

ACM2022

Assessing and enhancing foldability in designed proteins

Bruno Emanuel Ferreira De Sousa Correia, Stéphane Rosset, Che Yang

Recent advances in protein-design methodology have led to a dramatic increase in reliability and scale. With these advances, dozens and even thousands of designed proteins are automatically generated and screened. Nevertheless, the success rate, particular ...

WILEY2022

A generic framework for hierarchical de novo protein design

Bruno Emanuel Ferreira De Sousa Correia, Zander Harteveld, Jaume Bonet Martinez, Fabian Sesterhenn, Stéphane Rosset, Che Yang

De novo protein design enables the exploration of novel sequences and structures absent from the natural protein universe. De novo design also stands as a stringent test for our understanding of the underlying physical principles of protein folding and may ...

NATL ACAD SCIENCES2022

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