We introduce a parallel Wang-Landau method based on the replica-exchange framework for
Monte Carlo simulations. To demonstrate its advantages and general applicability for …

A single flexible homopolymer chain can assume a variety of conformations which can be
broadly classified as expanded coil, collapsed globule, and compact crystallite. Here we …

This book presents an authoritative and in-depth treatment of potential energy landscape
theory, a powerful analytical approach to describing the atomic and molecular interactions in …

We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations
based on the Wang-Landau method. To demonstrate its advantages and general …

A central problem in computational biophysics is protein structure prediction, ie, finding the
optimal folding of a given amino acid sequence. This problem has been studied in a …

The thermodynamic behavior of a continuous homopolymer is described using the Wang-
Landau algorithm for chain lengths up to N= 561. The coil-globule and liquid-solid …

We investigate the tricritical scaling behavior of the two-dimensional spin-1 Blume-Capel
model by using the Wang-Landau method of measuring the joint density of states for lattice …

The existence of self-entangled proteins, the native structure of which features a complex
topology, unveils puzzling, and thus fascinating, aspects of protein biology and evolution …

Protein structure prediction is regarded as a highly challenging problem both for the biology
and for the computational communities. In recent years, many approaches have been …

Coarse-grained (lattice-) models have a long tradition in aiding efforts to decipher the
physical or biological complexity of proteins. Despite the simplicity of these models …