Publications associées à Biologie structurale

Stimulus-responsive assembly of nonviral nucleocapsids

Controlled assembly of a protein shell around a viral genome is a key step in the life cycle of many viruses. Here we report a strategy for regulating the co-assembly of nonviral proteins and nucleic acids into highly ordered nucleocapsids in vitro. By fus ...

Nature Portfolio2024

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

Structural study of nickelate based heterostructures

Duncan Thomas Lindsay Alexander, Chih-Ying Hsu, Bernat Mundet, Jean-Marc Triscone

Heterostructures consisting of SmNiO3 and NdNiO3 alternating layers with additional LaAlO3 spacer layers were grown and fully characterized by means of x-ray diffraction, atomic force microscopy, and scanning transmission electron microscopy. A change in t ...

Aip Publishing2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Structural topology exploration through policy-based generation of equilibrium representations

Corentin Jean Dominique Fivet, Ioannis Mirtsopoulos

Mainstream approaches to design spatial architectural forms that are structurally relevant consist either in adapting well-known and catalogued conventional types or in searching for close-to-optimum solutions of well-defined problems. Few means exist to e ...

2023

Protein target highlights in CASP15: Analysis of models by structure providers

Bruno Lemaitre, Luciano Andres Abriata, Samuel Rommelaere, Kuan-Lin Wu, Han Xiao

We present an in-depth analysis of selected CASP15 targets, focusing on their biological and functional significance. The authors of the structures identify and discuss key protein features and evaluate how effectively these aspects were captured in the su ...

WILEY2023

Computational Conceptual Design – Typological Exploration Of Spatial Truss Systems Through Optimization

Corentin Jean Dominique Fivet, Jonas Warmuth, Pierluigi D'Acunto

Exploring a wide range of relevant design options from the outset is crucial for every sound conceptual design process. Optimization techniques are generally employed to generate well-performing structural design options. However, focusing only on performa ...

2023

A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

Lucien Fabrice Krapp

Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

EPFL2023

Influence of structural dynamics on cell uptake investigated with single-chain polymeric nanoparticles

Francesco Stellacci, Arthur Eliot Bouchez, Lixia Wei, Suiyang Liao

Most nanoparticles' parameters affect their interactions with cells. To date, all the parameters studied are basically static (e.g., size, shape, ligands, and charge). This is unfortunate, because proteins have struc-tural dynamics that most nanoparticles ...

CELL PRESS2023

Combined Passive and Active Ultrasonic Stress Wave Monitoring of UHPFRC Properties on a Structural Level

Eugen Brühwiler, Numa Joy Bertola, Thomas Schumacher

Ultra-High-Performance Fiber-Reinforced Cementitious Composite (UHPFRC) is becoming popular in designing lightweight and durable structures. UHPFRC structural elements remain crack-free and waterproof under service conditions, significantly improving durab ...

2023