We apply the Wako-Saito-Muñoz-Eaton model to the study of myotrophin, a small ankyrin
repeat protein, whose folding equilibrium and kinetics have been recently characterized …

Coarse-grained simulations with charge hopping were performed for a positively charged
tetrameric transthyretin (TTR) protein complex with a total charge of+ 20. Charges were …

Proximal hydrogen bonding of the axial sulfur with the backbone amides (NH–S) is a
conserved feature of heme-thiolate enzymes such as chloroperoxidase (CPO) and …

A random walk sampling algorithm allows the extraction of the density of states distribution
in energy-reaction coordinate space. As a result, the temperature dependences of …

Chloroperoxidase-catalyzed enantiospecific epoxidations of olefins are of significant
biotechnological interest. Typical enantiomeric excesses are in the range of 66%–97% and …

Hydrogen exchange experiments reveal the existence of a foldon structure in Cytochrome c.
We performed constant temperature Molecular Dynamics simulations of Cytochrome c to …

Protein fluorescence signals essential information about the conformational dynamics of
proteins. Different types of intrinsic fluorophores reflect different protein local or global …

Herein, we propose a modified version of the Wako-Saitô-Muñoz-Eaton (WSME) model. The
proposed model introduces an empirical temperature parameter for the hypothetical …

Thermodynamic and kinetic properties of proteins affect their folding and aggregation
processes, which are responsible for a range of biological functions in cells. This chapter …