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  • 1
    ISSN: 0948-5023
    Keywords: Keywords Antiangiogenesis ; Antiproliferation ; Docking study ; Drug design ; ras mutation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Farnesyltransferase (FT) inhibitors can repress tumor cell proliferation without substantially interfering with normal cell growth and are thus promising in cancer treatment. A detailed knowledge of how substrates and inhibitors bind to FT at the atomic level can expedite screening and rational design of improved FT inhibitors. Here we report theoretical models of the FT complexed with FPP and the potent nonpeptidic inhibitor SCH 56580 and other inhibitor-FPP-FT ternary complexes derived from the docking studies prior to any crystal structures of the FT liganded with nonpeptidic inhibitors. On the basis of these models we evaluate the roles of FPP, Zn2+ and the zinc-coordinated water molecule in inhibitor binding, and propose the structural determinants of binding of nonpeptidic FT inhibitors. Furthermore, we suggest the use of the FPP-FT binary complex as a novel and effective drug target structure for screening and rational design of improved FT inhibitors.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Fluids 14 (2002), S. 17 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In the continuum transition flow regime, we propose to truncate the Chapman–Enskog expansion of the Boltzmann equation to the Navier–Stokes order without going to the Burnett or super Burnett orders. However, the particle collision time has to be generalized to depend not only on the local macroscopic flow variables, but also their gradients in the rarefied gas regime. In other words, a generalized constitutive relation for the stress and heat flux is proposed. This new model is applied to the study of argon gas shock structure. There is good agreement between the predicted shock structure and experimental results for a wide range of Mach numbers. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1520-4804
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Key engineering materials Vol. 368-372 (Feb. 2008), p. 1851-1854 
    ISSN: 1013-9826
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Ternary-layered Ti3SiC2 ceramic was prepared by self-propagation high temperature combustionsynthesis with pseudo hot isostatic pressing (SHS/PHIP). The effect of Ti/C mol ratio, Si content andAl content on the phase composition of the products was investigated. Experimental results showed thatthe phase composition of SHS/PHIPed products was influenced greatly by Ti/C mol ratio and Si contentin the raw material. When Ti/C mol ratio is 1.5, the main phase was TiC with only a little Ti3SiC2; thecontent of Ti3SiC2 increased greatly with increase of Si content. The main phase turned to Ti3SiC2 whileTiC became the main impurity when the Ti/C mol ratio arrived at 2. With addition of aluminum, thecontent of Ti3SiC2 increased obviously and the distortion of lattice was caused in Ti3SiC2 crystals
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 81 (1995), S. 147-164 
    ISSN: 1572-9613
    Keywords: Gas-kinetic relaxation schemes ; compressible Euler equations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Starting from the gas-kinetic model, a new class of relaxation schemes for the Euler equations is presented. In contrast to the Riemann solver, these schemes provide a multidimensional dynamical gas evolution model, which combines both Lax-Wendroff and kinetic flux vector splitting schemes, and their coupling is based on the fact that a nonequilibrium state will evolve into an equilibrium state along with the increase of entropy. The numerical fluxes are constructed without getting into the details of the particle collisions. The results for many well-defined test cases are presented to indicate the robustness and accuracy of the current scheme.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Journal of scientific computing 15 (2000), S. 19-28 
    ISSN: 1573-7691
    Keywords: Euler equations ; Lax–Friedrichs (LxF) schemes ; positivity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science
    Notes: Abstract This paper presents the positivity analysis of the explicit and implicit Lax–Friedrichs (LxF) schemes for the compressible Euler equations. The theoretical proof is closely based on the decomposition of fluid variables and their corresponding fluxes into the pseudo-particles representation. For both explicit and implicit 1st-order LxF schemes, from any initial realizable state the density and the internal energy could keep non-negative values under the CFL condition with Courant number 1.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 25 (1997), S. 21-49 
    ISSN: 0271-2091
    Keywords: gas evolution model ; gas-kinetic BGK schemes ; entropy condition ; gas-kinetic Lax-Wendroff flux ; kinetic flux vector splitting ; local extremum diminishing ; advection equations ; non-linear hyperbolic systems ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Gas-kinetic schemes based on the BGK model are proposed as an alternative evolution model which can cure some of the limitations of current Riemann solvers. To analyse the schemes, simple advection equations are reconstructed and solved using the gas-kinetic BGK model. Results for gas-dynamic application are also presented. The final flux function derived in this model is a combination of a gas-kinetic Lax- Wendroff flux of viscous advection equations and kinetic flux vector splitting. These two basic schemes are coupled through a non-linear gas evolution process and it is found that this process always satisfies the entropy condition. Within the framework of the LED (local extremum diminishing) principle that local maxima should not increase and local minima should not decrease in interpolating physical quantities, several standard limiters are adopted to obtain initial interpolations so as to get higher-order BGK schemes. Comparisons for well-known test cases indicate that the gas-kinetic BGK scheme is a promising approach in the design of numerical schemes for hyperbolic conservation laws. © 1997 by John Wiley & Sons, Ltd.
    Additional Material: 27 Ill.
    Type of Medium: Electronic Resource
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