1,596 research outputs found
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates
Computational drug design based on artificial intelligence is an emerging
research area. At the time of writing this paper, the world suffers from an
outbreak of the coronavirus SARS-CoV-2. A promising way to stop the virus
replication is via protease inhibition. We propose an evolutionary
multi-objective algorithm (EMOA) to design potential protease inhibitors for
SARS-CoV-2's main protease. Based on the SELFIES representation the EMOA
maximizes the binding of candidate ligands to the protein using the docking
tool QuickVina 2, while at the same time taking into account further objectives
like drug-likeliness or the fulfillment of filter constraints. The experimental
part analyzes the evolutionary process and discusses the inhibitor candidates.Comment: 15 pages, 7 figures, submitted to PPSN 202
Flux Modulations seen by the Muon Veto of the GERDA Experiment
The GERDA experiment at LNGS of INFN is equipped with an active muon veto.
The main part of the system is a water Cherenkov veto with 66~PMTs in the water
tank surrounding the GERDA cryostat. The muon flux recorded by this veto shows
a seasonal modulation. Two effects have been identified which are caused by
secondary muons from the CNGS neutrino beam (2.2 %) and a temperature
modulation of the atmosphere (1.4 %). A mean cosmic muon rate of /(sm) was found in good agreement with other experiments at
LNGS at a depth of 3500~meter water equivalent.Comment: 7 pages, 6 figure
Dimensionality-Driven Metal-Insulator Transition in Spin-Orbit-Coupled SrIrO3
Upon reduction of the film thickness we observe a metal-insulator transition in epitaxially stabilized, spin-orbit-coupled SrIrO3 ultrathin films. By comparison of the experimental electronic dispersions with density functional theory at various levels of complexity we identify the leading microscopic mechanisms, i.e., a dimensionality-induced readjustment of octahedral rotations, magnetism, and electronic correlations. The astonishing resemblance of the band structure in the two-dimensional limit to that of bulk Sr2IrO4 opens new avenues to unconventional superconductivity by "clean" electron doping through electric field gating
Limit on the Radiative Neutrinoless Double Electron Capture of Ar from GERDA Phase I
Neutrinoless double electron capture is a process that, if detected, would
give evidence of lepton number violation and the Majorana nature of neutrinos.
A search for neutrinoless double electron capture of Ar has been
performed with germanium detectors installed in liquid argon using data from
Phase I of the GERmanium Detector Array (GERDA) experiment at the Gran Sasso
Laboratory of INFN, Italy. No signal was observed and an experimental lower
limit on the half-life of the radiative neutrinoless double electron capture of
Ar was established: 3.6 10 yr at 90 % C.I.Comment: 7 pages, 3 figure
The spin-1/2 XXZ Heisenberg chain, the quantum algebra U_q[sl(2)], and duality transformations for minimal models
The finite-size scaling spectra of the spin-1/2 XXZ Heisenberg chain with
toroidal boundary conditions and an even number of sites provide a projection
mechanism yielding the spectra of models with a central charge c<1 including
the unitary and non-unitary minimal series. Taking into account the
half-integer angular momentum sectors - which correspond to chains with an odd
number of sites - in many cases leads to new spinor operators appearing in the
projected systems. These new sectors in the XXZ chain correspond to a new type
of frustration lines in the projected minimal models. The corresponding new
boundary conditions in the Hamiltonian limit are investigated for the Ising
model and the 3-state Potts model and are shown to be related to duality
transformations which are an additional symmetry at their self-dual critical
point. By different ways of projecting systems we find models with the same
central charge sharing the same operator content and modular invariant
partition function which however differ in the distribution of operators into
sectors and hence in the physical meaning of the operators involved. Related to
the projection mechanism in the continuum there are remarkable symmetry
properties of the finite XXZ chain. The observed degeneracies in the energy and
momentum spectra are shown to be the consequence of intertwining relations
involving U_q[sl(2)] quantum algebra transformations.Comment: This is a preprint version (37 pages, LaTeX) of an article published
back in 1993. It has been made available here because there has been recent
interest in conformal twisted boundary conditions. The "duality-twisted"
boundary conditions discussed in this paper are particular examples of such
boundary conditions for quantum spin chains, so there might be some renewed
interest in these result
The Polarised Valence Quark Distribution from semi-inclusive DIS
The semi-inclusive difference asymmetry A^{h^{+}-h^{-}} for hadrons of
opposite charge has been measured by the COMPASS experiment at CERN. The data
were collected in the years 2002-2004 using a 160 GeV polarised muon beam
scattered off a large polarised ^6LiD target and cover the range 0.006 < x <
0.7 and 1 < Q^2 < 100 (GeV/c)^2. In leading order QCD (LO) the asymmetry
A_d^{h^{+}-h^{-}} measures the valence quark polarisation and provides an
evaluation of the first moment of Delta u_v + Delta d_v which is found to be
equal to 0.40 +- 0.07 (stat.) +- 0.05 (syst.) over the measured range of x at
Q^2 = 10 (GeV/c)^2. When combined with the first moment of g_1^d previously
measured on the same data, this result favours a non-symmetric polarisation of
light quarks Delta u-bar = - Delta d-bar at a confidence level of two standard
deviations, in contrast to the often assumed symmetric scenario Delta u-bar =
Delta d-bar = Delta s-bar = Delta s.Comment: 7 pages, 3 figures, COMPASS, revised: details added, author list
update
Multiplicities of charged pions and unidentified charged hadrons from deep-inelastic scattering of muons off an isoscalar target
Multiplicities of charged pions and unidentified hadrons produced in
deep-inelastic scattering were measured in bins of the Bjorken scaling variable
, the relative virtual-photon energy and the relative hadron energy .
Data were obtained by the COMPASS Collaboration using a 160 GeV muon beam and
an isoscalar target (LiD). They cover the kinematic domain in the photon
virtuality > 1(GeV/c, , and . In addition, a leading-order pQCD analysis was performed using the
pion multiplicity results to extract quark fragmentation functions
Term Structure Models with Shot-noise Effects
This work proposes term structure models consisting of two parts: a part which can be represented in exponential quadratic form and a shot noise part. These term structure models allow for explicit expressions of various derivatives. In particular, they are very well suited for credit risk models. The goal of the paper is twofold. First, a number of key building blocks useful in term structure modelling are derived in closed-form. Second, these building blocks are applied to single and portfolio credit risk. This approach generalizes Duffie & Garleanu (2001) and is able to produce realistic default correlation and default clustering. We conclude with a specific model where all key building blocks are computed explicitly
Contrasting bee pollination in two co-occurring distylic species of Cordia (Cordiaceae, Boraginales) in the Brazilian semi-arid Caatinga: generalist in C. globosa vs. specialist in C. leucocephala
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