Publications associées à Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

Publications associées (34)

Nanoplasmonic Infrared Microarray Sensor Enabling Structural Protein Biomarker-Based Drug Screening for Neurodegenerative Diseases

Berkay Dagli, Hilal Lashuel, Hatice Altug, Deepthy Kavungal, Enzo Sébastien Benjamin Morro

The misfolding of proteins from native monomers into β-sheet-rich fibrils via oligomers is a key hallmark of neurodegenerative diseases (NDDs). Identifying and screening drugs that inhibit protein aggregation for early disease intervention remains challeng ...

2025

Simulating Interacting Quantum Systems with Near-Term Quantum Computers

Stefano Barison

In less than a century, electronic computers have become essential to everyday life and have transformed scientific research. Their use in solving scientific problems has integrated theoretical and experimental approaches, often blurring the lines between ...

EPFL2025

OpenMM–MiMiC Interface for Efficient and Flexible Multiscale Simulations

Ursula Röthlisberger, Andrea Levy, Andrej Antalik

MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we demonstrate its e ...

American Chemical Society (ACS)2025

Nanoindentation hardness and modulus of Al2O3-SiO2-CaO and MnO-SiO2-FeO inclusions in iron

Eva Luisa Vogt, Jonathan Aristya Setyadji, Andreas Mortensen, Léa Deillon, Alejandra Inés Slagter, David Hernandez Escobar

Dataset corresponding to the following manuscript: Slagter, A., Setyadji, J.A., Vogt, E.L. et al. Nanoindentation Hardness and Modulus of Al2O3–SiO2–CaO and MnO–SiO2–FeO Inclusions in Iron. Metall Mater Trans A (2024). https://doi.org/10.1007/s11661-024-0 ...

Zenodo2024

Data set for control of Ge island coalescence for the formation of nanowires on silicon

Anna Fontcuberta i Morral, Alok Rudra, Santhanu Panikar Ramanandan, Joel René Sapera

This document contains all the data and the details of the analysis used in the manuscript titled " Control of Ge island coalescence for the formation of nanowires on silicon." https://doi.org/10.1039/D3NH00573A ...

EPFL Infoscience2024

Dataset for '3D printing of customizable transient bioelectronics and sensors'

Danick Briand, Nicolas Francis Fumeaux

This data set contains the data collected during the FNS project Green Piezo (Grant no. 179064) in association with the recent publication entitled “3D printing of customizable transient bioelectronics and sensors”. This work aims to study and demonstrate ...

Zenodo2024

Data and scripts for the RaFSIP scheme

Athanasios Nenes, Paraskevi Georgakaki

This repository contains microphysics routines, scripts, and processed data from the Weather Research and Forecasting (WRF) model simulations presented in the paper "RaFSIP: Parameterizing ice multiplication in models using a machine learning approach", by ...

Zenodo2024

Robust machine learning for neuroscientific inference

Steffen Schneider

Modern neuroscience research is generating increasingly large datasets, from recording thousands of neurons over long timescales to behavioral recordings of animals spanning weeks, months, or even years. Despite a great variety in recording setups and expe ...

EPFL2024

Hybrid Simulator for Capturing Dynamics of Synthetic Populations

Michel Bierlaire, Marija Kukic

This paper presents a novel hybrid framework for generating and updating a synthetic population. We call it hybrid because it combines model-based and data-driven approaches. Existing generators produce a snapshot of synthetic data that becomes outdated ov ...

IEEE2024

Data-Driven Control Synthesis using Koopman Operator: A Robust Approach

Alireza Karimi, Nathan Russell Powell, Mert Eyuboglu

This paper proposes a data-driven control design method for nonlinear systems that builds upon the Koopman operator framework. In particular, the Koopman operator is used to lift the nonlinear dynamics to a higher-dimensional space where the so-called obse ...

2024

Task-driven neural network models predict neural dynamics of proprioception: Experimental data, activations and predictions of neural network models

Alexander Mathis, Alberto Silvio Chiappa, Alessandro Marin Vargas, Axel Bisi

Here we provide the neural data, activation and predictions for the best models and result dataframes of our article "Task-driven neural network models predict neural dynamics of proprioception". It contains the behavioral and neural experimental data (cu ...

EPFL Infoscience2024

Data-driven statistical optimization of a groundwater monitoring network

Andrea Rinaldo

We propose a comparative study of three different methods aimed at optimizing existing groundwater monitoring networks. Monitoring piezometric heads in subsurface porous formations is crucial at regional scales to properly characterize the relevant subsurf ...

Elsevier2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

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

Probabilistic and Deterministic Wellposedness for Low Regularity Dispersive Equations

Katie Sabrina Catherine Rosie Marsden

In this thesis we will present two results on global existence for nonlinear dispersive equations with data at or below the scaling regularity. In chapter 1 we take a probabilistic perspective to study the energy-critical nonlinear Schrödinger equation in ...

EPFL2024

Demonstration of a sparse sensor placement technique to the limited diagnostic set in a fusion power plant

Artur Perek, Lorenzo Martinelli

DEMO will have a limited diagnostic set for optimization of reactor performance, and limited diagnostic coverage due to challenging reactor conditions. This poses challenges for control, especially for detachment control which is planned to be performed wi ...

Elsevier Science Sa2024

Intermediate complexity atmospheric modeling in complex terrain: is it right?

Michael Lehning, Dylan Stewart Reynolds, Michael Haugeneder

Dynamic downscaling of atmospheric forcing data to the hectometer resolution has shown increases in accuracy for landsurface models, but at great computational cost. Here we present a validation of a novel intermediate complexity atmospheric model, HICAR, ...

Frontiers Media Sa2024

A setup for hard x-ray time-resolved resonant inelastic x-ray scattering at SwissFEL

Majed Chergui, Giulia Fulvia Mancini, Michele Puppin, Ludmila Maria Diniz Leroy, Hui-Yuan Chen, Rolf Baldwin Versteeg

We present a new setup for resonant inelastic hard x-ray scattering at the Bernina beamline of SwissFEL with energy, momentum, and temporal resolution. The compact R = 0.5 m Johann-type spectrometer can be equipped with up to three crystal analyzers and al ...

Aip Publishing2024

Integrated Wireless Power, Data Communication, and Thermal Sensing System for Autonomous Multisite Brain Implants

Mohammad Javad Karimi

Implanted medical devices (IMDs) have been widely developed to support the monitoring and recording of biological data inside the body or brain. Wirelessly powered IMDs, a subset of implantable electronics, have been proposed to eliminate the limitations r ...

EPFL2024

Is There a Special Role for Ovarian Hormones in the Pathogenesis of Lobular Carcinoma?

Cathrin Brisken, Georgios Sflomos

Lobular carcinoma represent the most common special histological subtype of breast cancer, with the majority classed as hormone receptor positive. Rates of invasive lobular carcinoma in postmenopausal women have been seen to increase globally, while other ...

Endocrine Soc2024