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Humphrey

Humphreys, K. K., Jelen s Cost and Optimization Engineering, 3d ed., McGraw-Hill, New York, 1991. [Pg.253]

Nelson, M., Humphrey, W., Gursoy, A., Dalke, A., Kale, L., Skeel, R.D., Schul-ten, K. NAMD - A parallel, object-oriented molecular dynamics program. Int. J. Supercomputing Applications and High Performance Computing 10 (1996) 251-268. [Pg.32]

The simulations also revealed that flapping motions of one of the loops of the avidin monomer play a crucial role in the mechanism of the unbinding of biotin. The fluctuation time for this loop as well as the relaxation time for many of the processes in proteins can be on the order of microseconds and longer (Eaton et al., 1997). The loop has enough time to fluctuate into an open state on experimental time scales (1 ms), but the fluctuation time is too long for this event to take place on the nanosecond time scale of simulations. To facilitate the exit of biotin from its binding pocket, the conformation of this loop was altered (Izrailev et al., 1997) using the interactive molecular dynamics features of MDScope (Nelson et al., 1995 Nelson et al., 1996 Humphrey et al., 1996). [Pg.44]

The authors thank Y. Oono and M. Balsera for invaluable contributions to the joint development of SMD and J. Gullingsrud for many suggestions in the preparation of the manuscript. Images of molecular systems were produced with the program VMD (Humphrey et al., 1996). This work was supported by grants from the National Institute of Health (PHS 5 P41 RR05969-04), the National Science Foundation (BIR-9318159, BIR 94-23827 (EQ)), and the Roy J. Carver Charitable Trust. [Pg.60]

D. D. Humphreys, R. A. Friesner, and B. J. Berne. Simulated annealing of a protein in a continuum solvent by multiple-time-step molecular dynamics. J. Phys. Chem., 99 10674-10685, 1995. [Pg.95]

Wisdom, J. The Origin of the Kirkwood Gaps A Mapping for Asteroidal Motion Near the 3/1 Commensurability. Astron. J. 87 (1982) 577-593 Tuckerman, M., Martyna, G. J., Berne, J. Reversible Multiple Time Scale Molecular Dynamics. J. Chem. Phys. 97 (1992) 1990-2001 Tuckerman, M., Berne, J. Vibrational Relaxation in Simple Fluids Comparison of Theory and Simulation. J. Chem. Phys. 98 (1993) 7301-7318 Humphreys, D. D., Friesner, R. A., Berne, B. J. A Multiple-Time Step Molecular Dynamics Algorithm for Macromolecules. J. Chem. Phys. 98 (1994) 6885-6892... [Pg.347]

The primary developers of NAMD 1 were M. Nelson, W. Humphrey, A. Gursoy, A. Dalke and R. Brunner. The primary developers of NAMD 2 were J. Phillips, A. Shinozaki, R. Brunner, N. Krawetz, M. Bhandarkar and A. Gursoy. NAMD development was performed at the National Institutes of Health Resource for Concurrent Biological Computing under the supervision of principal investigators L.V. Kale, R. Skeel, and K. Schulten. This work was... [Pg.480]

Humphreys D D, R A Friesner and B J Berne 1994. A Multiple Time-step Molecular Dynami Algorithm for Macromolecules. Journal of Physical Chemistry 98 6885-6892. [Pg.423]

Gr. barys, heavy) Baryta was distinguished from lime by Scheele in 1774 the element was discovered by Sir Humphrey Davy in 1808. [Pg.126]

Humidity control Huminite Humoryl Humphrey spirals Humphrey s spiral a-Humulene [d753-98-d]... [Pg.485]

S. Bernstein, G. H. Tzeng, and D. Sisson in A. E. Humphrey and E. L. Gaden, Jr., eds., Single-Cell Protein from Renewable andNonrenewable Resources, John Wiley Sons, Inc., New York, 1977, pp. 35—44. [Pg.473]

Most architectural fabrics are usually flexible composites comprised of glass fibers coated with fluorocarbons to resist wind, mechanical forces, and outdoor environmental degradation. The airport terminal in Saudi Arabia, and the roofs for the Hubert Humphrey Dome in Minneapolis and the Tokyo Dome Stadium are a few examples of the successful use of architectural fabrics. [Pg.72]

Humphrey s spiral 0.6 dia, 2.9 1-5 beach sands, iron ore, and other heavy minerals... [Pg.403]


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