Search results for "Simulation."

Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study

2021

The mixed lineage leukemia 3 or MLL3 is the enzyme in charge of the writing of an epigenetic mark through the methylation of lysine 4 from the N-terminal domain of histone 3 and its deregulation has been related to several cancer lines. An interesting feature of this enzyme comes from its regulation mechanism, which involves its binding to an activating dimer before it can be catalytically functional. Once the trimer is formed, the reaction mechanism proceeds through the deprotonation of the lysine followed by the methyl-transfer reaction. Here we present a detailed exploration of the activation mechanism through a QM/MM approach focusing on both steps of the reaction, aiming to provide new…

Uncertainty quantification on a spatial Markov-chain model for the progression of skin cancer

2019

AbstractA spatial Markov-chain model is formulated for the progression of skin cancer. The model is based on the division of the computational domain into nodal points, that can be in a binary state: either in ‘cancer state’ or in ‘non-cancer state’. The model assigns probabilities for the non-reversible transition from ‘non-cancer’ state to the ‘cancer state’ that depend on the states of the neighbouring nodes. The likelihood of transition further depends on the life burden intensity of the UV-rays that the skin is exposed to. The probabilistic nature of the process and the uncertainty in the input data is assessed by the use of Monte Carlo simulations. A good fit between experiments on mi…

Formulations and exact algorithms for the distance-constrained generalized directed rural postman problem

2017

[EN] The generalized directed rural postman problem is an arc routing problem with many interesting real-life applications, such as routing for meter reading. In this application, a vehicle with a receiver travels through a series of neighborhoods. If the vehicle gets closer than a certain distance to a meter, the receiver is able to record the gas, water, or electricity consumption. Therefore, the vehicle does not need to traverse every street, but only a few, to get close enough to each meter. We study an extension of this problem in which a fleet of vehicles is available. Given the characteristics of the mentioned application, the vehicles have no capacities but there is a maximum distan…

Biological Peer-To-Peer Networks: From Bacterial Communication To The Development Of Synthetic Distributed Systems

2014

We address Bacterial Computing from the study of bacterial communication mechanisms, by assuming a conceptual framework between Computer Science and Biology in which cells are conceived as nodes. This nodes process information through modules formed of DNA as encoded software (biobricks) and are connected to other nodes. In order to understand how peerto-peer mechanisms operate in bacteria, we have studied Quorum sensing and Conjugation with an engineering perspective. Learning how cells process and exchange information we try to glimpse new theoretical approaches to develop synthetic networks and to transfer complex algorithms to natural environments. Extending bacterial communications we …

Distributed channel prediction for multi-agent systems

2017

Los sistemas multiagente (MAS) se comunican a través de una red inalámbrica para coordinar sus acciones e informar sobre el estado de su misión. La conectividad y el rendimiento del sistema pueden mejorarse mediante la predicción de la ganancia del canal. Presentamos un esquema basado en regresión de procesos gaussianos (GPR) distribuidos para predecir el canal inalámbrico en términos de la potencia recibida en el MAS. El esquema combina una máquina de comité bayesiano con un esquema de consenso medio, distribuyendo así no sólo la memoria sino también la carga computacional y de comunicación. A través de simulaciones de Monte Carlo, demostramos el rendimiento del GPR propuesto. RACHEL TEC20…

Permeability of three-dimensional random fiber webs

1998

We report the results of essentially ab initio simulations of creeping flow through large threedimensional random fiber webs that closely resemble fibrous sheets such as paper and nonwoven fabrics. The computational scheme used in this Letter is that of the lattice-Boltzmann method and contains no free parameters concerning the properties of the porous medium or the dynamics of the flow. The computed permeability of the web is found to be in good agreement with experimental data, and confirms that permeability depends exponentially on porosity over a large range of porosity. [S0031-9007(97)05087-4]

Influence of field crop plantations on microbial characteristics of runoff water: effect on plant growth and soil functioning

2006

International audience

Response of AGATA segmented HPGe detectors to gamma rays up to 15.1MeV

2013

WOS: 000314826000009

Calibration of microscopic traffic simulation models for evaluating operation and safety performance at roundabouts

Genetic structure and differentiation from early bronze age in the mediterranean island of sicily: Insights from ancient mitochondrial genomes

2022

Sicily is one of the main islands of the Mediterranean Sea, and it is characterized by a variety of archaeological records, material culture and traditions, reflecting the history of migrations and populations’ interaction since its first colonization, during the Paleolithic. These deep and complex demographic and cultural dynamics should have affected the genomic landscape of Sicily at different levels; however, the relative impact of these migrations on the genomic structure and differentiation within the island remains largely unknown. The available Sicilian modern genetic data gave a picture of the current genetic structure, but the paucity of ancient data did not allow so far to make p…