Harvey

Harvey A N 1999 Applications of first-principles calculations to the correlation of water s second virial coefficient Proc. 13th Int. Conf of the Properties of Water and Steam (Toronto, 12-16 September 1999)... 

J. McCammon and S. Harvey, Dynamics of proteins and nucleic acids, Cambridge University Press, Cambridge, U.K., 1987. 

We assume that the unbinding reaction takes place on a time scale long ( ompared to the relaxation times of all other degrees of freedom of the system, so that the friction coefficient can be considered independent of time. This condition is difficult to satisfy on the time scales achievable in MD simulations. It is, however, the most favorable case for the reconstruction of energy landscapes without the assumption of thermodynamic reversibility, which is central in the majority of established methods for calculating free energies from simulations (McCammon and Harvey, 1987 Elber, 1996) (for applications and discussion of free energy calculation methods see also the chapters by Helms and McCammon, Hermans et al., and Mark et al. in this volume). 

McCammon and Harvey, 1987] McCammon, J. A., and Harvey, S. C. Dynamics of Proteins and Nucleic Acids. Cambridge University Press, Cambridge, 1987. 

Protein dynamics occurs on very different time scales ([McCammon and Harvey 1987, Jardetzky 1996]). Here, we are most interested in long time scale motions such as relative motion between secondary structure elements, and inter-domain motion. 

Molecular dynamics simulations ([McCammon and Harvey 1987]) propagate an atomistic system by iteratively solving Newton s equation of motion for each atomic particle. Due to computational constraints, simulations can only be extended to a typical time scale of 1 ns currently, and conformational transitions such as protein domains movements are unlikely to be observed. 

M. Hao and S. C. Harvey. Analyzing the normal mode dynamics of macro-molecules by the component synthesis method. Biopolymers, 32 1393-1405, 1992. 

J M 1992. Molecular Dynamics Simulation. Elementary Methods. New York, John Wiley Sons, ammon J A and S C Harvey 1987. Dynamics of Proteins and Nucleic Acids. Cambridge, Cambridge Jniversity Press. 

De, Loof H, S C Harvey, J P Segrest and R W Pastor 1991. Mean Field Stochastic Boundary Molecul Dynamics Simulation of a Phospholipid in a Membrane. Biochemistry 30 2099-2113. 

Dmitri Mendeleev) Mendelevium, the ninth transuranium element of the actinide series discovered, was first identified by Ghiorso, Harvey, Choppin, Thompson, and Seaborg in early in 1955 during the bombardment of the isotope 253Es with helium ions in the Berkeley 60-inch cyclotron. The isotope produced was 256Md, which has a half-life of 76 min. This first identification was notable in that 256Md was synthesized on a one-atom-at-a-time basis. 

This text is similar to that of McCammon and Harvey (see below), but also provides a background for force field-based calculations and a more sophisticated discussion. Includes numerous examples of computing the structure, dynamics, and thermodynamics of proteins. The authors provide an interesting chapter on the complementary nature of molecular mechanics calculations and specific experimental techniques. 

Harvey, D. T. Statistical Evaluation of Acid/Base Indicators, /. Chem. Educ. 1991, 68, 329-331. 

Harvey, D. T. Byerly, S. Bowman, A. et al. Optimization of to find the optimum combination of organic modifiers... 

J. E. Harvey, Theory and Design of Pressure Uessles, Van Nostrand Reinhold Co. Inc., New York, 1985. 

E. N. Harvey, A Histoy ofEuminescence, American Philosophical Society, Philadelphia, Pa., 1957. 

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