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Adapters multiple

Fluorometers and fluorescence spectrophotometers are available that offer a variety of features. These features include ratio referencing, microprocessor-controlled excitation and emission monochromators, pulsed xenon light sources, photon counting, rhodamine cell for corrected spectra, polarizers, flow cells, front-surface viewing adapters, multiple cell holders, and microprocessor-based data reduction systems. [Pg.80]

D Back-Projection and Adaptive Multiple Plane Reconstruction AMPR 13... [Pg.4]

Miller W H 1983 Symmetry-adapted transition-state theory and a unified treatment of multiple transition states J. Phys. Chem. 87 21... [Pg.2356]

We now address the fact that the symmeby of the vibrational modes must be adapted to the nuclear spin multiplicity. Since Li is a fermion with nuclear spin... [Pg.598]

Abstract. Molecular dynamics (MD) simulations of proteins provide descriptions of atomic motions, which allow to relate observable properties of proteins to microscopic processes. Unfortunately, such MD simulations require an enormous amount of computer time and, therefore, are limited to time scales of nanoseconds. We describe first a fast multiple time step structure adapted multipole method (FA-MUSAMM) to speed up the evaluation of the computationally most demanding Coulomb interactions in solvated protein models, secondly an application of this method aiming at a microscopic understanding of single molecule atomic force microscopy experiments, and, thirdly, a new method to predict slow conformational motions at microsecond time scales. [Pg.78]

As an example for an efficient yet quite accurate approximation, in the first part of our contribution we describe a combination of a structure adapted multipole method with a multiple time step scheme (FAMUSAMM — fast multistep structure adapted multipole method) and evaluate its performance. In the second part we present, as a recent application of this method, an MD study of a ligand-receptor unbinding process enforced by single molecule atomic force microscopy. Through comparison of computed unbinding forces with experimental data we evaluate the quality of the simulations. The third part sketches, as a perspective, one way to drastically extend accessible time scales if one restricts oneself to the study of conformational transitions, which arc ubiquitous in proteins and are the elementary steps of many functional conformational motions. [Pg.79]

Watanabe, M., Karplus, M. Dynamics of Molecules with Internal Degrees of Freedom by Multiple Time-Step Methods. J. Chem. Phys. 99 (1995) 8063-8074 Figueirido, F., Levy, R. M., Zhou, R., Berne, B. J. Large Scale Simulation of Macromolecules in Solution Combining the Periodic Fast Multiple Method with Multiple Time Step Integrators. J. Chem. Phys. 106 (1997) 9835-9849 Derreumaux, P., Zhang, G., Schlick, T, Brooks, B.R. A Truncated Newton Minimizer Adapted for CHARMM and Biomolecular Applications. J. Comp. Chem. 15 (1994) 532-555... [Pg.347]

Large stepsizes result in a strong reduction of the number of force field evaluations per unit time (see left hand side of Fig. 4). This represents the major advantage of the adaptive schemes in comparison to structure conserving methods. On the right hand side of Fig. 4 we see the number of FFTs (i.e., matrix-vector multiplication) per unit time. As expected, we observe that the Chebyshev iteration requires about double as much FFTs than the Krylov techniques. This is due to the fact that only about half of the eigenstates of the Hamiltonian are essentially occupied during the process. This effect occurs even more drastically in cases with less states occupied. [Pg.407]

Variational methods - theoretically the variational approach offers the most powerful procedure for the generation of a computational grid subject to a multiplicity of constraints such as smoothness, uniformity, adaptivity, etc. which cannot be achieved using the simpler algebraic or differential techniques. However, the development of practical variational mesh generation techniques is complicated and a universally applicable procedure is not yet available. [Pg.195]

Multiple adapters The double neck adapter (Fig. 11, 56, 10) provides as its name implies, two entries into a flask. The sizes of cones which are generally used are 19, 24, 29 and 34 the sockets are 19 or 24. [Pg.214]

Separatory funnels. For many operations the globular form (compare Fig. II, 1, 5, c) with 14, 19 or 24 cone on the stem and 14 or 19 socket for the stopper, is convenient. For some purposes, e.g., when used on a three-necked flask or with a multiple adapter, the cylindrical... [Pg.220]

One final technical improvement in soHd-state nmr is the use of combined rotational and multiple pulse spectroscopy (CRAMPS) (2), a technique which also requires a special probe and permits the acquisition of high resolution H and X nucleus nmr from soHds. The combination of these methods permits adapting most of the 1-D and 2-D experiments previously described for Hquids to the soHd phase. [Pg.409]

Matrix multiplication happens to be cummutative in this special case. It is easy to raise a matrix to a power on a computer since three nmlti-plications give the eighth power, etc. Therefore the matrix formulation is well adapted to computer use. [Pg.1837]

Figure 17.4 Melting temperatures, Tm, of engineered single-, double-, and tripledisulfide-containing mutants of T4 lysozyme relative to wild-type lysozyme. The red bars show the differences in Tm values of the oxidized and reduced forms of the mutant lysozymes. The green bars for the multiple-bridged proteins correspond to the sum of the differences in Tm values for the constituent single-bridged lysozymes. (Adapted from M. Matsumura et al.. Nature 342 291-293, 1989.)... Figure 17.4 Melting temperatures, Tm, of engineered single-, double-, and tripledisulfide-containing mutants of T4 lysozyme relative to wild-type lysozyme. The red bars show the differences in Tm values of the oxidized and reduced forms of the mutant lysozymes. The green bars for the multiple-bridged proteins correspond to the sum of the differences in Tm values for the constituent single-bridged lysozymes. (Adapted from M. Matsumura et al.. Nature 342 291-293, 1989.)...
Quite often the mixing units or elements are installed in a circular pipe however, they can he adapted to rectangular or other arrangements. Pressure drop through the units varies depending on design and whether flow is laminar or turbulent. Because of the special data required, pressure drops should he determined with the assistance of the manufacturer. Of course, pressure drops must he expected to he several multiples of conventional pipe pressure drop. [Pg.336]

Antidepressant Drugs. Figure 1 Effects of stress as a model for depression and the reversal by the use of antidepressants. Multiple intracellular targets might be involved in the regulation of plasticity and resilience by antidepressants, which block extracellular transporters. Adapted from [1],... [Pg.113]


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See also in sourсe #XX -- [ Pg.51 , Pg.214 ]

See also in sourсe #XX -- [ Pg.51 , Pg.214 ]

See also in sourсe #XX -- [ Pg.51 , Pg.214 ]

See also in sourсe #XX -- [ Pg.51 , Pg.214 ]




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