Publications associées à Engineering novel protein interactions with therapeutic potential using deep learning-guided surface design

Publications associées (55)

Mspo: a Machine Learning Hyperparameter Optimization Method for Enhanced Breast Cancer Image Classification

As one of the major threats to women's health worldwide, breast cancer requires early diagnosis and accurate classification, since they are key to optimizing therapeutic interventions and ensuring precise prognosis. Recently, deep learning has demonstrated ...

SAGE PUBLICATIONS LTD2025

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

Eflop: a Sparsity-aware Metric for Evaluating Computational Cost in Spiking and Non-spiking Neural Networks

Liza Carol Andrea Dunbar

Deploying energy-efficient deep neural networks on energy-constrained edge devices is an important research topic in both machine learning and circuit design communities. Both artificial neural networks (ANNs) and spiking neural networks (SNNs) have been p ...

IOP Publishing Ltd2025

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 th ...

EPFL2024

Domain shift, domain adaptation, and generalization: A focus on MRI

Tobias Kober, Meritxell Bach Cuadra, Veronica Lily Ravano, Jonas Richiardi

Differences in acquisition protocols or hardware result in measurable changes in image characteristics. These differences affect distributional properties and can also affect the spatial and temporal characteristics of the images. Likewise, the distributio ...

Academic Press2025

A phase transition between positional and semantic learning in a solvable model of dot-product attention

Lenka Zdeborová, Florent Gérard Krzakala, Hugo Chao Cui, Freya Behrens

Many empirical studies have provided evidence for the emergence of algorithmic mechanisms (abilities) in the learning of language models, that lead to qualitative improvements in the model capabilities. Yet, a theoretical characterization of how such mecha ...

2025

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

Machine-learning-empowered FDTD/FEM simulations for predictive solar energy absorption in plasmonic metamaterial nanocavity arrays

Amir Jafargholi

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

Royal Society of Chemistry (RSC)2025

Development of tools and methods for protein identification: From single molecules to in vivo applications

Salome Riccarda Püntener

As the fundamental machinery orchestrating cellular functions, proteins influence the state of every cell profoundly. As cells exhibit significant variations from one to another, analyzing the proteome on a single-cell level is imperative to unravel their ...

EPFL2024

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

Sophie Catherine Erb

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 ...

2025

Computational drug development for membrane protein targets

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

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

Foundations of a New Learning Paradigm in AI Grounded in the Principles of Evolutionary Developmental Biology

Zeki Doruk Erden

Contemporary AI faces important limitations that remain unresolved despite significant successes. Chief among these are the inability to acquire new knowledge without destroying old, the incomprehensible and nonengineerable nature of internal representatio ...

EPFL2025

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

Niloufar Sharif

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

How Gradient Descent Balances Features: A Dynamical Analysis For Two-Layer Neural Networks

Volkan Cevher, Fanghui Liu, Zhenyu Zhu

This paper investigates the fundamental regression task of learning k neurons (a.k.a. teachers) from Gaussian input, using two-layer ReLU neural networks with width m (a.k.a. students) and m, k = O(1), trained via gradient descent under proper initializati ...

2025

Recording physiological history of cells with chemical labeling

Kai Johnsson, Julien Hiblot

Recordings of the physiological history of cells provide insights into biological processes, yet obtaining such recordings is a challenge. To address this, we introduce a method to record transient cellular events for later analysis. We designed proteins t ...

American Association for the Advancement of Science2024

Antibodies expand the scope of angiotensin receptor pharmacology

Shuhao Zhang, Patrick Daniel Barth

G-protein-coupled receptors (GPCRs) are key regulators of human physiology and are the targets of many small-molecule research compounds and therapeutic drugs. While most of these ligands bind to their target GPCR with high affinity, selectivity is often l ...

2024

Learning to Assemble with Alternative Plans

Gabriel Rémi Vallat, Maryam Kamgarpour, Stefana Parascho, Ziqi Wang, Jingwen Wang

We present a reinforcement learning framework for constructing assemblies composed of rigid parts, which are commonly seen in many historical masonry buildings and bridges. Traditional construction methods for such structures often depend on dense scaffold ...

Association for Computing Machinery (ACM)2025

Interact with Earth Observation Images using AI: Transparent Methods and Evaluation for Visual Question Answering

Christel Marie Tartini-Chappuis

Now is an exciting time for the domain of Earth observation (EO), with a multitude of diverse sensors looking at the planet from satellites, airplanes or drones. The volume of imagery acquired is massive, and hold great potential for a variety of applicati ...

EPFL2025

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

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

Andrea Cavalli

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 ...

ELSEVIER2025