Berk Hess

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In this article we present methodology for simulating protein dynamics while imposing restraints derived from NMR measurements on partially ordered molecules. Such measurements may include residual dipolar couplings and chemical-shift anisotropies. We define a restraint potential for use in molecular dynamics and energy minimization. The presented potential(More)
  • Berk Hess
  • 2002
With molecular dynamics protein dynamics can be simulated in atomic detail. Current computers are not fast enough to probe all available conformations, but fluctuations around one conformation can be sampled to a reasonable extent. The motions with the largest fluctuations can be filtered out of a simulation using covariance or principal component analysis.(More)
  • B Hess
  • 1979
The glycolytic oscillator, mainly studied in yeast, is described with respect to its overall dynamic and biochemical properties and the kinetics of its master enzyme phosphofructokinase. Biochemical and kinetic analyses are complemented by analysis of mathematical models. In addition to the discussion of structure and function of the glycolytic oscillator(More)
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