Search results for " Simulation"

Simulation d’un Affichage Tête Haute - Réalité Augmentée pour l’aide visuelle à la conduite automobile

2016

Head-Up Display is the emerging solution for visual aid while driving a car, especially during reduced visibility conditions, such as bad weather or when the road is poorly lighted. The HUD device allows to project virtual information in the central field of view of the driving scene, enabling the driver to keep his attention on the road. The visual perception of the driver is therefore augmented, with a coexistence between the real and virtual world. However, it is necessary to ensure an optimal setting in order to guarantee the good perception of the virtual information, and allow drivers to take appropriate actions at the right moment. This thesis project is dedicated to study three impo…

MATHEMATICAL MODEL AND SOFTWARE SIMULATION OF SUSPENSION'S SYSTEM FROM OPEL CARS

2014

Investigating Potential Alignments between Modelica Standard Library and SAREF Ontologies

2021

International audience; Simulation tools based on the Modelica language provide comprehensive modelling and simulation approaches for building energy systems. However, the simulation and optimisation of such systems are data-driven processes, lacking a common understanding of information structure within the process. This paper investigates the possible semantic alignments of the Smart Appliances REFerence (SAREF) ontology and its extension for building domain, SAREF4BLDG, with the Modelica Standard Library (MSL). Using the MSL, a residential heating system has been modelled in OpenModelica, an open-source modelling and simulation environment. Then, SAREF and its extension SAREF4BLDG semant…

Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure-Activity Relationship Insights and Evolution Perspectives

2022

The viral main protease is one of the most attractive targets among all key enzymes involved in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO with selective antiviral drugs will arrest the replication process of the virus without affecting human catalytic pathways. In this Perspective, we analyzed the in silico, in vitro, and in vivo data of the most representative examples of covalent SARS-CoV-2 MPRO inhibitors reported in the literature to date. In particular, the studied molecules were classified into eight different categories according to their reactive electrophilic warheads, highlighting the differences between their reversible/irreversible mech…

Synthesis, computational docking and biological evaluation of celastrol derivatives as dual inhibitors of SERCA and P-glycoprotein in cancer therapy.

2021

Abstract A series of eleven celastrol derivatives was designed, synthesized, and evaluated for their in vitro cytotoxic activities against six human cancer cell lines (A549, HepG2, HepAD38, PC3, DLD-1 Bax-Bak WT and DKO) and three human normal cells (LO2, BEAS-2B, CCD19Lu). To our knowledge, six derivatives were the first example of dipeptide celastrol derivatives. Among them, compound 3 was the most promising derivative, as it exhibited a remarkable anti-proliferative activity and improved selectivity in liver cancer HepAD38 versus human normal hepatocytes, LO2. Compound 6 showed higher selectivity in liver cancer cells against human normal lung fibroblasts, CCD19Lu cell line. The Ca2+ mob…

Additional Evidence for a Pulsar Wind Nebula in the Heart of SN 1987A from Multiepoch X-Ray Data and MHD Modeling

2022

Since the day of its explosion, supernova (SN) 1987A has been closely monitored to study its evolution and to detect its central compact relic. In fact, the formation of a neutron star is strongly supported by the detection of neutrinos from the SN. However, besides the detection in the Atacama Large Millimeter/submillimeter Array (ALMA) data of a feature that is compatible with the emission arising from a proto-pulsar wind nebula (PWN), the only hint for the existence of such elusive compact object is provided by the detection of hard emission in NuSTAR data up to ~ 20 keV. We report on the simultaneous analysis of multi-epoch observations of SN 1987A performed with Chandra, XMM-Newton and…

Outside-host phage therapy as a biological control against environmental infectious diseases

2018

Background Environmentally growing pathogens present an increasing threat for human health, wildlife and food production. Treating the hosts with antibiotics or parasitic bacteriophages fail to eliminate diseases that grow also in the outside-host environment. However, bacteriophages could be utilized to suppress the pathogen population sizes in the outside-host environment in order to prevent disease outbreaks. Here, we introduce a novel epidemiological model to assess how the phage infections of the bacterial pathogens affect epidemiological dynamics of the environmentally growing pathogens. We assess whether the phage therapy in the outside-host environment could be utilized as a biologi…

An ontology-based metamodel for multiagent-based simulations

2014

Multiagent-based simulations enable us to validate dierent use-case scenarios in a lot of application domains. The idea is to develop a realistic virtual environment to test particular domain-specic procedures. This paper presents our general framework for interactive multiagent-based simulations in virtual environments. The major contribution of this paper is the integration of the notion of ontology as a core element to the design process of a behavioral simulation. The proposed metamodel describes the concepts of a multiagent simulation using situated agents moving in a semantically enriched 3D environment. The agents perceive the geometric and semantic data in the surrounding environmen…

Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations

2016

STAT3 protein, which is known to be involved in cancer development, is a promising target for anticancer therapy. Successful inhibitors of STAT3 should not affect an activity of closely related protein STAT1, which makes their development challenging. The mechanisms of selectivity of several existing STAT3 inhibitors are not clear. In this work, we studied molecular mechanisms of selectivity of 13 experimentally tested STAT3 inhibitors by means of extensive molecular dynamics and ensemble docking simulations. It is shown that all studied inhibitors bind to the large part of the protein surface in an unspecific statistical manner. The binding to the dimerization interface of the SH2 domain, …

Electron quantization in arbitrarily shaped Au islands on MgO thin films

2013

Low-temperature scanning tunneling microscopy has been employed to analyze the formation of quantum well states (QWS) in two-dimensional gold islands, containing between 50 and 200 atoms, on MgO thin films. The energy position and symmetry of the eigenstates are revealed from conductance spectroscopy and imaging. The majority of the QWS originates from overlapping Au 6p orbitals in the individual atoms and is unoccupied. Their characteristic is already reproduced with simple particle-in-a-box models that account for the symmetry of the islands (rectangular, triangular, or linear). However, better agreement is achieved when considering the true atomic structure of the aggregates via a densit…