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Thermodynamics of Protein Folding from Coarse-Grained Models' Perspectives
Michael Bachmann, Wolfhard Janke
Folding and aggregation of proteins, the interaction between proteins and membranes, as well as the adsorption of organic soft matter to inorganic solid substrates belong to the mo…
Differences in Solution Behavior among Four Semiconductor-Binding Peptides
Simon Mitternacht, Stefan Schnabel, Michael Bachmann +2
Recent experiments have identified peptides with adhesion affinity for GaAs and Si surfaces. Here we use all-atom Monte Carlo (MC) simulations with implicit solvent to investigate…
Adsorption Phenomena at Organic-Inorganic Interfaces
Michael Bachmann, Wolfhard Janke
The qualitative solvent- and temperature-dependent conformational behavior of a peptide in the proximity of solid substrates with different adsorption properties is investigated by…
Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models
Michael Bachmann, Wolfhard Janke
Simple coarse-grained hydrophobic-polar models for heteropolymers as the lattice HP and the off-lattice AB model allow a general classification of characteristic behaviors for hydr…
Density of States for HP Lattice Proteins
Michael Bachmann, Wolfhard Janke
The density of states contains all informations on energetic quantities of a statistical system, such as the mean energy, free energy, entropy, and specific heat. As a specific app…