Publications associées à Molecular Simulations Highlight the Role of Metals in Catalysis and Inhibition of Type II Topoisomerase

Accurate and rapid antibiotic susceptibility testing using a machine learning-assisted nanomotion technology platform

Sandor Kasas, Anthony Vocat, Gino Cathomen, Eric Delarze, Florian Tagini, Laura Munch

Antimicrobial resistance (AMR) is a major public health threat, reducing treatment options for infected patients. AMR is promoted by a lack of access to rapid antibiotic susceptibility tests (ASTs). Accelerated ASTs can identify effective antibiotics for t ...

Nature Portfolio2024

Homogeneous vs. heterogeneous photo-Fenton elimination of antibiotic-resistant bacteria bearing intracellular or extracellular resistance: Do resistance mechanisms interfere with disinfection pathways?

César Pulgarin, Stefanos Giannakis, Truong-Thien Melvin Le, Jérémie Decker

The present study aimed to fill the knowledge gap between the implications of intracellular and extracellular antibiotic resistance mechanisms may inflict on the inactivation pathways of the photo-Fenton process under mild conditions. It was thus designed ...

Elsevier Sci Ltd2024

Implementing water recirculation in a novel portable plasma-activated water reactor enhances antimicrobial effect against Escherichia coli

Ivo Furno, Alan Howling, Fabio Avino, Rita Agus, Brayden Graham Myers, Lorenzo Ibba, Leonardo Zampieri

The need for sustainable and reliable decontamination methods is driven by concerns regarding antibiotic resistance, as well as environmental and cost -efficiency challenges associated with traditional methods. Plasmaactivated water (PAW) holds significant ...

Elsevier Science Sa2024

Extensions of Peer Prediction Incentive Mechanisms

Adam Julian Richardson

As large, data-driven artificial intelligence models become ubiquitous, guaranteeing high data quality is imperative for constructing models. Crowdsourcing, community sensing, and data filtering have long been the standard approaches to guaranteeing or imp ...

EPFL2024

Simple optical nanomotion method for single-bacterium viability and antibiotic response testing

Sandor Kasas, María Inés Villalba, Allan Bonvallat, Eugenia Rossetti

Antibiotic resistance is nowadays a major public health issue. Rapid antimicrobial susceptibility tests (AST) are one of the options to fight this deadly threat. Performing AST with single-cell sensitivity that is rapid, cheap, and widely accessible, is ch ...

National Academy of Sciences2023

Biofilm formation on human immune cells is a multicellular predation strategy of Vibrio cholerae

Alexandre Louis André Persat, Sofya Mikhaleva

Biofilm formation is generally recognized as a bacterial defense mechanism against environmental threats, including antibiotics, bacteriophages, and leukocytes of the human immune system. Here, we show that for the human pathogen Vibrio cholerae, biofilm f ...

CELL PRESS2023

E-Scan: Consuming Contextual Data with Model Plugins

Anastasia Ailamaki, Viktor Sanca

Extracting value and insights from increasingly heterogeneous data sources involves multiple systems combining and consuming the data. With multi-modal and context-rich data such as strings, text, videos, or images, the problem of standardizing the data mo ...

2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Sara Bonella, Fabio Pietrucci, David Daniel Girardier

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies

Henning Paul-Julius Stahlberg, Dongchun Ni

ABCG2 is an ATP-binding cassette transporter that exports a wide range of xenobiotic compounds and has been recognized as a contributing factor for multidrug resistance in cancer cells. Substrate and inhibitor interactions with ABCG2 have been extensively ...

Academic Press Ltd- Elsevier Science Ltd2023

Blue Brain Nexus: An open, secure, scalable system for knowledge graph management and data-driven science

Henry Markram, Sean Lewis Hill, Samuel Claude Kerrien, Carolina Johanna Elisabeth Lindqvist, Alejandra Garcia Rojas Martinez, Huanxiang Lu, Mohameth François Sy, Anna-Kristin Kaufmann, Jonathan Raël Lurie, Henry Genet

Modern data-driven science often consists of iterative cycles of data discovery, acquisition, preparation, analysis, model building and validation leading to knowledge discovery as well as dissemination at scale. The unique challenges of building and simul ...

2023