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Titlebook: Computational Molecular Dynamics: Challenges, Methods, Ideas; Proceeding of the 2n Peter Deuflhard,Jan Hermans,Robert D. Skeel Conference p

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1439-7358 in. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the c
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Mathematical Model of the Nucleic Acids Conformational Transitions with Hysteresis over Hydration—Defact allows one to explain the hysteresis phenomena observed experimentally in the nucleic acid-water system. The problem of self-organization in the nucleic acid-water system is of great importance for revealing physical mechanisms of the functioning of nucleic acids and for many specific practical fields.
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On Some Difficulties in Integrating Highly Oscillatory Hamiltonian Systemsble, semi-implicit methods. Here semi-implicit means that only the highly oscillatory part is integrated by an implicit method such as the midpoint method or an energy-conserving variant of it. The hope is that such methods will allow one to use a step-size . which is much larger than the period . of the fast oscillations.
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S. Ivvan Valdez,Felipe Trujillo-Romeroependent protein kinase (cAPK) with a continuum (Poisson) model for the electrostatics. In this paper, we will put the previous results into context and discuss possible extensions into the dynamic regime.
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