94 citations · 247 across the 5 of their papers we have counts for
5 papers
Versatile approach to access the low temperature thermodynamics of lattice polymers and proteins
Thomas Wüst, David P. Landau
We show that Wang-Landau sampling, combined with suitable Monte Carlo trial moves, provides a powerful method for both the ground state search and the determination of the density…
Sequence determines degree of knottedness in a coarse-grained protein model
Thomas Wüst, Daniel Reith, Peter Virnau
Knots are abundant in globular homopolymers but rare in globular proteins. To shed new light on this long-standing conundrum, we study the influence of sequence on the formation of…
Generic folding and transition hierarchies for surface adsorption of hydrophobic-polar lattice model proteins
Ying Wai Li, Thomas Wüst, David P. Landau
The thermodynamic behavior and structural properties of hydrophobic-polar (HP) lattice proteins interacting with attractive surfaces are studied by means of Wang-Landau sampling. T…
Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling
Ying Wai Li, Thomas Wüst, David P. Landau
Wang-Landau sampling has been applied to investigate the thermodynamics and structural properties of a lattice hydrophobic-polar heteropolymer (the HP protein model) interacting wi…
Optimized Wang-Landau sampling of lattice polymers: Ground state search and folding thermodynamics of HP model proteins
Thomas Wüst, David P. Landau
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, howe…