Titlebook: Rugged Free Energy Landscapes; Common Computational Wolfhard Janke Book 2008 Springer-Verlag Berlin Heidelberg 2008 Monte Carlo method.Pote

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All-Atom Simulations of Proteinsons. Important examples of these new techniques will be introduced in the context of all-atom simulations of small proteins. For these molecules, the folding mechanism and the relation between secondary structure formation and folding are explored. Limitations of current energy functions are discussed.

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Markov Chain Monte Carlo Methods for Simulations of Biomolecules are two advanced techniques, which are of relevance for simulations of biomolecules or are expected to become relevant in that respect. In particular, we consider the multicanonical ensemble and the replica exchange method (also known as parallel tempering or method of multiple Markov chains).

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Affluence

Protein Folding, Unfolding and Aggregation Studied Using an All-Atom Model with~a~Simplified Interacvior of several peptides with about 20 amino acids. The same model, with unchanged parameters, has also been used to investigate the aggregation behavior of a fragment of Alzheimer’s Aβ peptide and the mechanical properties of the 76-residue protein ubiquitin.

ADORN

喊叫

Some Aspects of Infinite-Range Models of Spin Glasses: Theory and Numerical Simulationsties. Experimental evidences were obtained for a low-temperature “spin-glass” gly history dependent, response to external perturbations (this later aspect leads, more recently, to many fascinating developments). The theoretical analysis of this phenomenon leads to the celebrated Edwards–Anderson mod

半球

The Potts Glass Model: A Scenario for the Freezing Transition of Structural Glasses?(such as described by the mode-coupling theory of the glass transition) is briefly reviewed. The mean-field Potts glass with р > 4 states provides a model where both a static and a dynamic transition occur. We describe Monte Carlo simulations which provide insight into the behavior of this model and

Fibrinogen

Domain Walls, Droplets and Barriers in Two-Dimensional Ising Spin Glassestudied in condensed matter physics and statistical mechanics. A lot of research has been devoted to such systems, more than 10 000 scientific publications about spin glasses exist. The reason for this strong interest is that spin glasses exhibit a very puzzling behavior at low temperatures, which is