Flat-Bottom Strategy for Improved Accuracy in Protein Side-Chain Placements

We present a new strategy for protein side-chain placement that uses flat-bottom potentials for rotamer scoring. The extent of the flat bottom depends on the coarseness of the rotamer library and is optimized for libraries ranging from diversities of 0.2 Å to 5.0 Å. The parameters reported here were optimized for forcefields using Lennard-Jones 12−6 van der Waals potential with DREIDING parameters but are expected to be similar for AMBER, CHARMM, and other forcefields. This Side-Chain Rotamer Excitation Analysis Method is implemented in the SCREAM software package. Similar scoring function strategies should be useful for ligand docking, virtual ligand screening, and protein folding applications

Few-electron quantum dots in III-V ternary alloys: role of fluctuations

We study experimentally the electron transport properties of gated quantum dots formed in InGaAs/InP and InAsP/InP quantum well structures grown by chemical-beam epitaxy. For the case of the InGaAs quantum well, quantum dots form directly underneath narrow gate electrodes due to potential fluctuations. We measure the Coulomb-blockade diamonds in the few-electron regime of a single quantum dot and observe photon-assisted tunneling peaks under microwave irradiation. A singlet-triplet transition at high magnetic field and Coulomb-blockade effects in the quantum Hall regime are also observed. For the InAsP quantum well, an incidental triple quantum dot forms also due to potential fluctuations within a single dot layout. Tunable quadruple points are observed via transport measurements.Comment: 3.3 pages, 3 figures. Added two new subfigures, new references, and improved the tex

The global adoption of Industralised Building System (IBS) : lessons learned

Industrialised Building Systems (IBS) is typically used interchangeably with other terms such as prefabrication, offsite manufacturing, offsite construction, and modern method of construction (MMC), industrialised building and industrialised construction. Nevertheless, the term modern method of construction (MMC) has been used to collectively describe both offsite-based construction technologies and innovative onsite technologies in the United Kingdom. It is evident that there exist a wide range of contextual issues which stems from the definition of these terminologies. However, lack of previous research has explored the relationship between these terminologies. Therefore, this paper emphasises the contrasting concepts of IBS and MMC, and concludes that ill-defining the MMC-IBS terms leads to misunderstanding, uncertainty and prejudice of the IBS concept and its benefits besides the adoption of IBS in global, which will be detrimental to efforts promoting the use of IBS in the construction industry

A Tuneable Few Electron Triple Quantum Dot

In this paper we report on a tuneable few electron lateral triple quantum dot design. The quantum dot potentials are arranged in series. The device is aimed at studies of triple quantum dot properties where knowing the exact number of electrons is important as well as quantum information applications involving electron spin qubits. We demonstrate tuning strategies for achieving required resonant conditions such as quadruple points where all three quantum dots are on resonance. We find that in such a device resonant conditions at specific configurations are accompanied by novel charge transfer behaviour.Comment: 11 pages, 4 figure

Coherent Transport Through a Quadruple Point in a Few Electron Triple Dot

A few electron double electrostatic lateral quantum dot can be transformed into a few electron triple quantum dot by applying a different combination of gate voltages. Quadruple points have been achieved at which all three dots are simultaneously on resonance. At these special points in the stability diagram four occupation configurations are possible. Both charge detection and transport experiments have been performed on this device. In this short paper we present data and confirm that transport is coherent by observing a Pi phase shift in magneto-conductance oscillations as one passes through the quadruple point.Comment: To be published in ICPS Conf. Proceedings 200

Computer codes for the evaluation of thermodynamic and transport properties for equilibrium air to 30000 K

The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260

Computer codes for the evaluation of thermodynamic properties, transport properties, and equilibrium constants of an 11-species air model

The computer codes developed provide data to 30000 K for the thermodynamic and transport properties of individual species and reaction rates for the prominent reactions occurring in an 11-species nonequilibrium air model. These properties and the reaction-rate data are computed through the use of curve-fit relations which are functions of temperature (and number density for the equilibrium constant). The curve fits were made using the most accurate data believed available. A detailed review and discussion of the sources and accuracy of the curve-fitted data used herein are given in NASA RP 1232

The visibility study of S-T+_+ Landau-Zener-St\"uckelberg oscillations without applied initialization

Probabilities deduced from quantum information studies are usually based on averaging many identical experiments separated by an initialization step. Such initialization steps become experimentally more challenging to implement as the complexity of quantum circuits increases. To better understand the consequences of imperfect initialization on the deduced probabilities, we study the effect of not initializing the system between measurements. For this we utilize Landau-Zener-St\"uckelberg oscillations in a double quantum dot circuit. Experimental results are successfully compared to theoretical simulations.Comment: 8 pages, 5 figure

Enhanced charge detection of spin qubit readout via an intermediate state

We employ an intermediate excited charge state of a lateral quantum dot device to increase the charge detection contrast during the qubit state readout procedure, allowing us to increase the visibility of coherent qubit oscillations. This approach amplifies the coherent oscillation magnitude but has no effect on the detector noise resulting in an increase in the signal to noise ratio. In this letter we apply this scheme to demonstrate a significant enhancement of the fringe contrast of coherent Landau-Zener-Stuckleberg oscillations between singlet S and triplet T+ two-spin states.Comment: 3 pages, 3 figure

Canine liver transplantation under nva cyclosporine versus cyclosporine

The immunosuppressive qualities and other features of a new cyclosporine (CsA) analogue, Nva 2-cyclosporine (Nva 2-CsA) were examined using canine orthotopic liver allografts. The mean survival time was 11.8±9.6 (SD) days in dogs without treatment, 60.8±34.4 days with Nva 2-CsA and 65.1±33.0 days with CsA. Functional abnormalities indicating toxic side effects were not noted either with Nva 2-CsA or with CsA. Using the same oral dose, the rate of blood level rise and the amount of the rise were greater with Nva2-CsA. Histopathologically, Nva2-CsA the treatment was associated with the same degree of hydropic vocuolation in the pars recta of the proximal tubules as CsA treatment. Thus, in the dog, Nva2-CsA had identical immunosuppressive properties as CsA, with no functionally detectable toxicity affecting the liver and kidney. © 1986 by The Williams & Wilkins Co