Related Experiment Video
Updated: May 30, 2026

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
Published on: October 13, 2022
Monte Carlo simulations of the HP model (the "Ising model" of protein folding)
Ying Wai Li1, Thomas Wüst, David P Landau
1Center for Simulational Physics, The University of Georgia, Athens, GA 30602, U.S.A.
Abstract:
Using Wang-Landau sampling with suitable Monte Carlo trial moves (pull moves and bond-rebridging moves combined) we have determined the density of states and thermodynamic properties for a short sequence of the HP protein model. For free chains these proteins are known to first undergo a collapse "transition" to a globule state followed by a second "transition" into a native state. When placed in the proximity of an attractive surface, there is a competition between surface adsorption and folding that leads to an intriguing sequence of "transitions". These transitions depend upon the relative interaction strengths and are largely inaccessible to "standard" Monte Carlo methods.
Related Concept Videos
Protein Folding
Protein Folding
Protein Structure Is Critical to Its Biological Function
Proteins perform a wide range of biological functions such as catalyzing chemical reactions, providing...
Protein Folding
Protein Organization
The primary structure of a protein is its amino acid sequence.
Molecular Chaperones and Protein Folding
The...
Molecular Chaperones and Protein Folding
The...

