Mediaspace scheduled maintenance: Aug 25, 2026 07:00 - 12:00 AM. During this time, videos will be temporarily unavailable. Check status updates.

Concept

Modèle moléculaire

Publications associées (31)

Dynamic Imaging of Lipid Membranes by Means of Water

Orly Bagunu Tarun

Lipid membranes are self-assembled structures whose composition determines the properties of membranes of cells and organelles. The molecular level understanding of lipid membranes is based on spectroscopy and MD simulations of lipid monolayer systems. As ...

EPFL2019

Modeling robot geometries like molecules, application to fast multi-contact posture planning for humanoids

Auke Ijspeert, Salman Faraji

Traditional joint-space models used to describe equations of motion for humanoid robots offer nice properties linked directly to the way these robots are built. However, from a computational point of view and convergence properties, these models are not th ...

Ieee-Inst Electrical Electronics Engineers Inc2018

Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties

Ursula Röthlisberger, Anatole von Lilienfeld, Nicholas John Browning

The training of molecular models of quantum mechanical properties based on statistical machine learning requires large data sets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of training examples is o ...

2017

Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy

Sylvie Roke, Yixing Chen, Halil Ibrahim Okur, Chung-Wen Liang

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...

2017

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Aurélien Kevin Fabrice Patoz

Understanding the elementary steps involved in a chemical reaction forms the cornerstone of physical chemistry research. One way to deepen this understanding is by studying chemical and physical processes using linear and nonlinear spectroscopic techniques ...

EPFL2017

Studying membrane-protein interplay by modeling realistic conditions

Martina Audagnotto

Realistic models of cellular environments have long captured the imagination of biologists and physical scientists. More than 20 years ago, Goodshellâ s inspiring rendering of cellular environments provided the foundation for the idea of capturing the ful ...

EPFL2017

A systematic approach for thermal stability predictions of chemicals and their risk assessment: Pattern recognition and compounds classification based on thermal decomposition curves

Thierry Meyer, Nadia Baati, Annik Nanchen

In the context of process and product design, predictive models are increasingly employed. Decomposition properties of chemicals may be experimentally determined through calorimetric measurements, and a few molecular structure-based models- which correlate ...

Institution of Chemical Engineers2017

In-Vivo Validation of Fully Implantable Multi-Panel Devices for Remote Monitoring of Metabolism

Giovanni De Micheli, Sandro Carrara, Catherine Dehollain, Camilla Baj-Rossi, Francesca Stradolini, Andrea Cavallini, Enver Gürhan Kilinç

This paper presents the in-vivo tests on a Fully Implantable Multi-Panel Devices for Remote Monitoring of endogenous and exogenous analytes. To investigate issues on biocompatibility, three different covers have been designed, realized and tested in ...

Ieee-Inst Electrical Electronics Engineers Inc2016

Allelopathic Activity of the Iron Chelator Anachelin-A Molecular Hybrid with a Dual Mode of Action

Karl Gademann

One of the compounds suggested to be responsible for the cyanobacterial dominance over competing green algae is identified. Evidence is provided on the molecular, chemical level that the iron chelator anachelin from the cyanobacterium Anabaena cylindrica p ...

Wiley-V C H Verlag Gmbh2016

Syntheses, characterizations, X-ray crystal structures, and antibacterial activities of Co( II), Ni( II), and Zn( II) complexes of the Schiff base derived from 5-nitro-2hydroxybenzaldehyde and benzylamine

Kurt Schenk

Three new complexes, [(CoL2)-L-II(bzln)(2)] (1), [(NiL2)-L-II(DMF)(2)] (2), and [(ZnL2)-L-II] (3), with the bidentate (NO) Schiff base HL=2-((E)-(benzylimino)methyl)-4-nitrophenol have been synthesized and characterized. [(CoL2)-L-II(bzln)(2)] (1) was init ...

Taylor & Francis Ltd2015

Local electronic properties and adsorption conformations of molecular nanostructures at surfaces

Ivan Pentegov

Nanoscale science is an emerging field of our time and opens a broad horizon for applications in almost every area of human activity, from medicine to energy storage. As usual, there are numerous challenges in the way of progress, which slow down the devel ...

EPFL2015