Browsing Τμήμα Φυσικής / Department of Physics by Subject "calculation"
Now showing items 1-20 of 22
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The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug
(2002)CP320626, a potential antidiabetic drug, inhibits glycogen phosphorylase in synergism with glucose. To elucidate the structural basis of synergistic inhibition, we determined the structure of muscle glycogen phosphorylase ...
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Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase
(2001)Specific amino acid binding by aminoacyl-tRNA synthetases (aaRS) is necessary for correct translation of the genetic code. Engineering a modified specificity into aminoacyl-tRNA synthetases has been proposed as a means to ...
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Comparison of three-jet events in pp̄ collisions at √s = 1.8 TeV to predictions from a next-to-leading order QCD calculation
(2005)The properties of three-jet events with total transverse energy greater than 320 GeV and individual jet energy greater than 20 GeV have been analyzed and compared to absolute predictions from a next-to-leading order (NLO) ...
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Critical mass of Wilson fermions: A comparison of perturbative and Monte Carlo results
(2001)We calculate the critical value of the hopping parameter, κc , in lattice QCD with Wilson fermions, to two loops in perturbation theory. This quantity is an additive renormalization
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Crystallographic and computational studies on 4-phenyl-N-(β-D- glucopyranosyl)-1H-1,2, 3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D- glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding
(2008)4-Phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its ...
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Determination of thorium, uranium and potassium elemental concentrations in surface soils in Cyprus
(2004)A comprehensive study was conducted to determine thorium, uranium and potassium elemental concentrations in surface soils throughout the accessible area of Cyprus using high-resolution γ-ray spectrometry. A total of 115 ...
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Fronts in a piecewise linear Schrödinger equation
(2002)We examine the conditions that are necessary for the appearance of fronts as solutions of nonlinear Schrödinger-like equations. We show that fronts can appear even when the potential in these equations has only one minimum. ...
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Gamma radiation measurements and dose rates in commercially-used natural tiling rocks (granites)
(2003)The gamma radiation in samples of a variety of natural tiling rocks (granites) imported in Cyprus for use in the building industry was measured, employing high-resolution γ-ray spectroscopy. The rock samples were pulverised, ...
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Gluon propagator without lattice Gribov copies
(2001)We study the gluon propagator in quenched lattice QCD using the Laplacian gauge which is free of lattice Gribov copies. We compare our results with those obtained in the Landau gauge on the lattice, as well as with various ...
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K-string tensions in SU(N) gauge theories
(2002)In the context of four-dimensional SU(N) gauge theories, we study the spectrum of the confining strings. We compute, for the SU(6) gauge theory formulated on a lattice, the three independent string tensions σk related to ...
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Magnetic-field-induced localization in networks with the T3 geometry
(2002)By following an exact analytical procedure we study the transmission properties of a network of quantum wires arranged in a so-called T3 configuration and in the presence of a perpendicular magnetic field. It is shown that ...
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Matter and pseudoscalar densities in lattice QCD
(2003)The matter and the pseudoscalar densities inside a hadron are calculated via gauge-invariant equal-time correlation functions. A comparison is made between the charge and the matter density distributions for the pion, the ...
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Measurement of B-meson lifetimes using fully reconstructed B decays produced in pp̄ collisions at √s = 1.8 TeV
(2002)We present an improved measurement of b-meson lifetimes using fully reconstructed B-decays produced in pp̄ collisions at √s = 1.8 TeV, using 114 pb-1 of data collected at the Collider Detector at Fermilab. We obtain τ(B+) ...
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Measurement of the polar-angle distribution of leptons from W boson decay as a function of the W transverse momentum in pp̄ collisions at √s=1.8 TeV
(2004)We present a measurement of the polar-angle distribution of leptons from W boson decay, as a function of the W transverse momentum. The measurement uses an 80±4 pb-1 sample of pp̄ collisions at √s = 1.8 TeV collected by ...
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Probing hadron wave functions in lattice QCD
(2002)Gauge-invariant equal-time correlation functions are calculated in lattice QCD within the quenched approximation and with two dynamical quark species. These correlators provide information on the shape and multipole moments ...
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Proteus and the design of ligand binding sites
(2016)This chapter describes the organization and use of Proteus, a multitool computational suite for the optimization of protein and ligand conformations and sequences, and the calculation of pKα shifts and relative binding ...
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Search for electroweak single-top-quark production in pp̄ collisions at √s = 1.96 TeV
(2005)We report on a search for standard model t-channel and s-channel single-top quark production in pp̄ collisions at a center of mass energy of 1.96 TeV. We use a data sample corresponding to 162 pb-1 recorded by the upgraded ...
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Search for single-top-quark production in pp̄ collisions at √s=1.8 TeV
(2002)We search for standard model single-top-quark production in the W-gluon fusion and W* channels using 106 pb-1 of data from pp̄ collisions at √s=1.8 TeV collected with the Collider Detector at Fermilab. We set an upper limit ...
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Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulations
(1998)Specific amino acid binding by aminoacyl-tRNA synthetases is necessary for correct translation of the genetic code. To obtain insight into the origin of the specificity, the binding to aspartyl-tRNA synthetase (AspRS) of ...
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Static three-quark SU(3) and four-quark SU(4) potentials
(2002)We present results on the static three- and four-quark potentials in SU(3) and SU(4), respectively, within quenched lattice QCD. We use an analytic multihit procedure for the time links and a variational approach to determine ...