Search results for "interaction [neutrino nucleon]"
showing 10 items of 235 documents
Protein Interaction Networks and Disease: Highlights of the 3rd Challenges in Computational Biology Meeting
2017
Cellular functions are managed by a complex network of protein interactions, the malfunction of which may derive in disease phenotypes. In spite of the incompleteness and noise present in our current protein interaction maps, computational biologists are making strenuous efforts to extract knowledge from these intricate networks and, through their integration with other types of biological data, expedite the development of novel and more effective treatments against human disorders. The 3rd Challenges in Computational Biology meeting revolved around the Protein Interaction Networks and Disease subject, bringing expert network biologists to the city of Mainz, Germany to debate the current st…
A Coclustering Approach for Mining Large Protein-Protein Interaction Networks
2012
Several approaches have been presented in the literature to cluster Protein-Protein Interaction (PPI) networks. They can be grouped in two main categories: those allowing a protein to participate in different clusters and those generating only nonoverlapping clusters. In both cases, a challenging task is to find a suitable compromise between the biological relevance of the results and a comprehensive coverage of the analyzed networks. Indeed, methods returning high accurate results are often able to cover only small parts of the input PPI network, especially when low-characterized networks are considered. We present a coclustering-based technique able to generate both overlapping and nonove…
Functional connectivity inference from fMRI data using multivariate information measures
2022
Abstract Shannon’s entropy or an extension of Shannon’s entropy can be used to quantify information transmission between or among variables. Mutual information is the pair-wise information that captures nonlinear relationships between variables. It is more robust than linear correlation methods. Beyond mutual information, two generalizations are defined for multivariate distributions: interaction information or co-information and total correlation or multi-mutual information. In comparison to mutual information, interaction information and total correlation are underutilized and poorly studied in applied neuroscience research. Quantifying information flow between brain regions is not explic…
Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks
2018
Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…
ALICE forward rapidity upgrades
2017
Two forward rapidity upgrades of the ALICE apparatus at the LHC are presented: the Muon Forward Tracker (MFT) and the Fast Interaction Trigger (FIT). Their designs are driven by physics performance studies, which have been done using MC simulations. Several prototypes have been tested. Currently the detector design phase has ended. The final layouts, geometries and expected performance figures are presented. The latest developments from the test of the prototypes are discussed. The MFT will improve the performance of the ALICE Muon Spectrometer by adding vertexing capabilities to the system. The elementary component of the MFT is a Monolithic Active Pixel Sensor (MAPS), using the TowerJazz …
Highly efficient separation of amines by electrokinetic chromatography using resorcarene-octacarboxylic acids as pseudo-stationary phases
1998
Abstract Resorcarene-octacarboxylic acids, macrocyclic molecules built up by four alkylidene-bridged resorcinol units, were synthesized and used as pseudostationary phases in electrokinetic chromatography (EKC). Resorcarenes provide a stable structure and good solubility in electrolytes even with organic modifiers. The high electrophoretic mobility of the resorcarene-octacarboxylic acids introduced here as pseudostationary phases is based on the eight partly deprotonated carboxylic groups. This offers a broad migration time window, which is the main parameter for the resolution of peaks. From three compounds with different alkyl chain lengths (C 1 , C 5 , C 11 ), the C 11 -resorcarene-octa-…
Study of the role of the CDC48 chaperone protein in plant immunity
2018
The chaperone protein CDC48 (Cell division cycle 48) is a major regulator of the quality control of proteins and is involved in various cellular processes in animals and yeast. In contrast, the role of CDC48 in plants is poorly known. In the present work, we investigated the function of CDC48 in plant immunity thanks to the cryptogein/tobacco biological model, cryptogein being produced by the oomycete phytophthora cryptogea.Three strategies were carried out. First, the dynamic of accumulation CDC48 together with intracellular events inherent to the immune response were analyzed in both wild-type and CDC48 overexpressing tobacco cells (CDC48-TAP line). Second, a list if CDC48 partners was es…
Etude du rôle de la protéine CDC48 dans l'immunité des plantes
2018
The chaperone protein CDC48 (Cell division cycle 48) is a major regulator of the quality control of proteins and is involved in various cellular processes in animals and yeast. In contrast, the role of CDC48 in plants is poorly known. In the present work, we investigated the function of CDC48 in plant immunity thanks to the cryptogein/tobacco biological model, cryptogein being produced by the oomycete phytophthora cryptogea.Three strategies were carried out. First, the dynamic of accumulation CDC48 together with intracellular events inherent to the immune response were analyzed in both wild-type and CDC48 overexpressing tobacco cells (CDC48-TAP line). Second, a list if CDC48 partners was es…
ChemInform Abstract: Weak Interactions Between Trivalent Pnictogen Centers: Computational Analysis of Bonding in Dimers X3E···EX3(E: Pnictogen, X: Ha…
2009
The nature of weak interactions in dimers X3E···EX3 (E = N−Bi, X = F−I) was investigated by wave function and density functional theory (DFT)-based methods. Out of the 20 systems studied, 10 are found to be bound at the CP-MP2 and LMP2 levels of theory. Detailed partition of the interaction energy into different components revealed that dispersion is the primary force holding the dimers together but there also exists an important ionic component whose contribution increases with increasing halogen size. As expected, standard density functionals fail to describe bonding in the studied systems. However, the performance of DFT methods can be easily improved via empirical dispersion correction …
Hydration of agarose double helix: A monte carlo simulation
2009
The structure of the water around agarose double helix is analyzed with ab initio quantum mechanical calculations and Monte Carlo simulations. The potential surface is sampled by computing the interaction energy between fragments of agarose and a water molecule placed at 221 different orientations and/or positions. These energy values are fitted to a simple analytical expression representing atom-atom pair potentials for a water molecule interacting with agarose. A preliminary understanding of the agarose-water interaction is obtained from isoenergy contour maps at planar cross sections, perpendicular to the long axis of the double helix, and for cylindrical surfaces enclosing the double he…