Download Advances in Chemical Physics, Computational Methods for by Richard A. Friesner, Ilya Prigogine, Stuart A. Rice PDF

By Richard A. Friesner, Ilya Prigogine, Stuart A. Rice

Because the first makes an attempt to version proteins on a working laptop or computer begun nearly thirty years in the past, our figuring out of protein constitution and dynamics has dramatically elevated. Spectroscopic size innovations proceed to enhance in solution and sensitivity, permitting a wealth of data to be got in regards to the kinetics of protein folding and unfolding, and complementing the distinct structural photograph of the folded country. simultaneously, algorithms, software program, and computational have stepped forward to the purpose the place either structural and kinetic difficulties could be studied with a good measure of realism. regardless of those advances, many significant demanding situations stay in figuring out protein folding at either the conceptual and functional degrees.

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Extra resources for Advances in Chemical Physics, Computational Methods for Protein Folding

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19, 31–37 (1994). A. Sˇ ali, E. Shakhnovich, and M. Karplus, Kinetics of protein folding: A lattice model study of the requirements for folding to the native state. J. Mol. Biol. 235, 1614–1636 (1994). H. S. Chan and K. A. Dill, Transition states and folding dynamics of proteins and heteropolymers. J. Chem. Phys. 100, 9238–9257 (1994). N. D. Socci and J. N. Onuchic, Folding kinetics of proteinlike heteropolymers. J. Chem. Phys. 101, 1519–1528 (1994). A. R. Dinner, V. Abkevich, E. Shakhnovich, and M.

The insights brought by Dill and Chan in the late 1980s have had a great influence on the development of LM for understanding proteinfolding kinetics [50]. Dill and co-workers argued that protein folding can be studied using short enough chains so that exact enumeration of all allowed conformations becomes possible. Exact enumeration enables precise computations of thermodynamic characteristics. Monte Carlo (MC) simulations, based on physically motivated move sets, can be used to monitor folding kinetics.

44. S. Takada, G" o-ing for the prediction of protein folding mechanisms. Proc. Natl. Acad. Sci. USA 96, 11698–11700 (1999). 45. N. G" o, Theoretical studies of protein folding. Annu. Rev. Biophys. Bioeng. 12, 183–210 (1983). 46. J. A. Schellman, The factors affecting the stability of hydrogen-bonded polypeptide structures in solution. J. Phys. Chem. 62, 1485–1494 (1958). 47. D. A. Debe and W. A. Goddard III, First principles prediction of protein folding rates. J. Mol. Biol. 294, 619–625 (1999).

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