Sampling of rare events using hidden restraints

Article Abstract:

A method to enhance sampling of rare events is presented by a combination of multi-configurational integration with the use of a biasing potential energy term, but without restraining the end states. Using (hidden) restraints, the transition from the (super 4)C(sub 1) into the (super 1)C(sub 4) state and back could be enforced without perturbing the end states.

Methods, Conformational analysis, Thermal properties, Biomolecules

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Quantitative model of electrochemical Ostwald ripening and its application to the time-dependent electrode potential of nanocrystalline metals

Article Abstract:

A quantitative model for electrochemical Ostwald ripening is presented in which the kinetics is modeled on the level of irreversible thermodynamics for the case that the rate is controlled by the electrode/electrolyte transfer resistance. The kinetic behavior of medium-sized particles and the time dependence of the electromotive force are investigated.

Electrochemistry, Electromotive force

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Sharp melting in DNA-linked nanostructure systems: Thermodynamic models of DNA-linked polymers

Article Abstract:

The results from an investigation of a DNA-linked polymer system suggests that the dehybridization properties of DNA strands in confined or dense structures differ from DNA in solution.

DNA polymerases

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