1.
Spin model of water and post-processing of protein folding experimentsArtem Badasyan,
Knarik Yeritsyan, 2023, published scientific conference contribution abstract
Abstract: The presence of several distinct minima in nearest-neighbor potentials in polymers makes it possible
to describe polymer conformations in terms of discrete isomeric states, naturally leading to spin
language. Using this general approach, a decade ago we have suggested the Hamiltonian formulation
for the Zimm and Bragg model of protein conformations [1,2]. Later we have augmented the model
by an oversimplified spin model for water, resulting in both cold and hot denaturations [3]. We
construct the Statistical Mechanics for the model and get access to its Thermodynamics. Resulting
order parameter and specific heat expressions are successfully fit to available experimental data [4].
Thanks to solid and traceable theoretical foundations, the procedure provides better quality fits as
compared to the state-of-the-art two-state model, routinely used to process protein folding
experiments.
Keywords: spin model, water, protein folding
Published in RUNG: 04.09.2023; Views: 789; Downloads: 4
Full text (1,47 MB)
This document has many files! More...
