Peptide Folding : When Simulation Meets Experiment

  title={Peptide Folding : When Simulation Meets Experiment},
  author={Xavier Daura and Karl Gademann and Bernhard Jaun and Dieter and Seebach and Wilfred F. van Gunsteren and Alan E. Mark and Steve Wilson and Konstantin Hirsch and Peng Zhang and J. Moore},
The last two decades have seen the horizons of science and engineering being expanded greatly by the use of computer simulation techniques. In particular, computer simulation is the method of choice to study processes that are dangerous, costly, or even impossible to carry out experimentally, or that are of microscopic nature and thereby partially inaccessible to detailed observation. Molecular dynamics (MD) simulations, in which Newton s equations of motion are integrated to reproduce the time… CONTINUE READING
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E-mail : and Department of Chemistry and Biochemistry University of California, San Diego

  • X. Daura, B. Jaun, D. Seebach, W. F. van Gunsteren, A. E. Mark, J. Mol
  • Dr. T. Bando Department of Chemistry and The…
  • 1998
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Angew . Chem . 1997 , 109 , 1922 ± 1923

  • B. Jaun

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