Clean Synthesis Using Porous Inorganic Solid Catalyts and by Clark J.H., Rhodes C.N.

By Clark J.H., Rhodes C.N.

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44 J. L. KLEPEIS AND C. A. FLOUDAS transition-minimum triples can be used to effectively characterize energy surfaces. The techniques were applied to the unsolvated and solvated forms of met-enkephalin and used to perform a comparative analysis of these systems. A number of visualization techniques were also shown to be useful for further elucidating the folding process for this peptide. Acknowledgments The authors gratefully acknowledge financial support from the National Science Foundation, Air Force Office of Scientific Research, the National Institutes of Health (ROl GM52032) and NPACI (for parallel computing resources).

This conformation then serves as a prediction for p and the best known local minimum structure computed so far, denoted

  • L· Phases I-III are repeated over the new search regions until p = L , then the method terminates, and

    7, 337-363. [7] Androulakis I. , Maranas C. D. and Floudas C. A. (1997), "Global minimum potential energy conformations of oligopeptides," J. Global Opt. Vol. 11, 1-34. [8] Augspurger J. D. and Scheraga H. A. (1996), "An efficient, differentiable hydration potential for peptides and proteins," J. Camp. Chem. Vol. 17, 1549-1558. [9] Becker O. M. and Karplus, M. (1997), "The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics," J. Chemical Physics, Vol.

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