Search results for "Benchmark"
showing 10 items of 310 documents
Benchmarking the port services: a customer oriented proposal
2004
In recent years, ports have experienced a period of significant growth and development along with intense inter‐port rivalry as a consequence of intermodality and hinterland development. It is therefore vital that port management bodies define and implement suitable strategies. This paper aims to adapt the benchmarking technique to the sphere of ports. Compares the activity of a port with that of its competitors, which is considered to be excellent. This is a strategic approach where consideration of the needs of the client, shipping lines and export‐import companies is the axis of the benchmarking process.
Exploring museum marketing performance: a case study from Italy
2010
The public funding of museums should be linked to performance results in order to reward institutions that are more efficient. Performance measurement tools rely heavily on figures based on visitors numbers and tickets sold. In this paper an indicator is proposed, called PMMP (Performance of Museum as a Marketing Product) consisting of 4 dimensions derived from the four P’s of marketing. The tool is applied to two art and archaeology museums, one private and one public used as case studies in this exploratory phase. Publicly managed facilities could be proving inefficient in performing high levels of marketing performance, thus reducing visitors numbers. The subsequent revenues decrease mak…
Getting Docking into Shape Using Negative Image-Based Rescoring
2019
The failure of default scoring functions to ensure virtual screening enrichment is a persistent problem for the molecular docking algorithms used in the structure-based drug discovery. To remedy this problem, elaborate rescoring and post-processing schemes have been developed with a varying degree of success, specificity, and cost. The negative imagebased rescoring (R-NiB) has been shown to improve the flexible docking performance markedly with a variety of drug targets.The yield improvement is achieved by comparing the alternative docking poses against the negative image of the target protein’s ligand-binding cavity. In other words, the shape and electrostatics of the binding pocket is dir…
Benchmark Study for the Cysteine-Histidine Proton Transfer Reaction in a Protein Environment: Gas Phase, COSMO, QM/MM Approaches.
2015
Proton transfer reactions are of crucial interest for the investigation of proteins. We have investigated the accuracy of commonly used quantum chemical methods for the description of proton transfer reactions in different environments (gas phase, COSMO, QM/MM) using the proton transfer between the catalytic dyad residues cysteine 145 and histidine 41 of SARS coronavirus main protease as a case study. The test includes thermodynamic, kinetic, and structural properties. The study comprises computationally demanding ab initio approaches (HF, CC2, MP2, SCS-CC2, SCS-MP2, CCSD(T)), popular density functional theories (BLYP, B3LYP, M06-2X), and semiempirical methods (MNDO/d, AM1, RM1, PM3, PM6). …
Study of Two-Photon Exchange via the Beam Transverse Single Spin Asymmetry in Electron-Proton Elastic Scattering at Forward Angles over a Wide Energy…
2020
We report on a new measurement of the beam transverse single spin asymmetry in electron-proton elastic scattering, $A^{ep}_{\perp}$, at five beam energies from 315.1 MeV to 1508.4 MeV and at a scattering angle of $30^{\circ} < \theta < 40^{\circ}$. The covered $Q^2$ values are 0.032, 0.057, 0.082, 0.218, 0.613 (GeV/c)$^2$. The measurement clearly indicates significant inelastic contributions to the two-photon-exchange (TPE) amplitude in the low-$Q^2$ kinematic region. No theoretical calculation is able to reproduce our result. Comparison with a calculation based on unitarity, which only takes into account elastic and $\mathrm{\pi N}$ inelastic intermediate states, suggests that there are ot…
A benchmark for protein dynamics: Ribonuclease A measured by neutron scattering in a large wavevector-energy transfer range
2008
The dynamics of Ribonuclease A was explored in the full range of time and length-scales accessible by neutron spectroscopy, on time-of-flight, backscattering and spin-echo spectrometers. Samples were examined in dry and hydrated powder forms and in concentrated and dilute solutions. The aim of the study was an experimental characterisation of the full variety of protein dynamics arising from stabilisation forces. The results provide a benchmark against which other sample dynamics can be compared.
Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones
2014
Protozoan parasites have been one of the most significant public health problems for centuries and several human infections caused by them have massive global impact. Most of the current drugs used to treat these illnesses have been used for decades and have many limitations such as the emergence of drug resistance, severe side-effects, low-to-medium drug efficacy, administration routes, cost, etc. These drugs have been largely neglected as models for drug development because they are majorly used in countries with limited resources and as a consequence with scarce marketing possibilities. Nowadays, there is a pressing need to identify and develop new drug-based antiprotozoan therapies. In …
Applications of Bond-Based 3D-Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification
2009
The concept of bond-based quadratic indices is generalized to codify chemical structure information for chiral drugs, making use of a trigonometric 3D-chirality correction factor. In order to evaluate the effectiveness of this novel approach in drug design, we have modeled several well-known data sets. In particularly, Cramer's steroid data set has become a benchmark for the assessment of novel QSAR methods. This data set has been used by several researchers using 3D-QSAR approaches. Therefore, it is selected by us for the shake of comparability. In addition, to evaluate the effectiveness of this novel approach in drug design, we model the angiotensin-converting enzyme inhibitory activity o…
Parton distributions and lattice QCD calculations: A community white paper
2018
Progress in particle and nuclear physics 100, 107 - 160 (2018). doi:10.1016/j.ppnp.2018.01.007