Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling
classification
❄️ cond-mat.soft
cond-mat.stat-mechphysics.bio-phphysics.comp-phq-bio.BM
keywords
statescomplexityfreenativeproteinssamplingsimplewang-landau
read the original abstract
We describe a class of "bare bones" models of homopolymers which undergo coil-globule collapse and proteins which fold into their native states in free space or into denatured states when captured by an attractive substrate as the temperature is lowered. We then show how, with the use of a properly chosen trial move set, Wang-Landau Monte Carlo sampling can be used to study the rough free energy landscape and ground (native) states of these intriguingly simple systems and thus elucidate their thermodynamic complexity.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.