Protein Defolding Feasibility Law: Computational Models and Simulation Data

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Authors: Enrique Rosario Aloma
Cited by: 0

Abstract

This repository contains computational models, simulation scripts, and supporting data for the study “A Dynamical Feasibility Law for Protein Structural Stability Under Bounded Proteostasis.” The code implements a minimal nonlinear dynamical framework describing protein fold retention as a competition between stress-weighted unfolding flux and bounded restorative proteostasis throughput. The repository includes numerical calculations of feasibility boundaries, stability-margin landscapes, stochastic simulations of proteostasis dynamics, and cross-protein comparisons using experimentally reported folding kinetics for superoxide dismutase 1 (SOD1) and related systems. These resources reproduce the figures and quantitative results presented in the manuscript. The framework establishes a dimensionless Defolding Feasibility Law governing the dynamic accessibility of metastable protein structures in driven nonequilibrium molecular systems.

Fields of Study & Subjects

Protein Structure and Dynamics Heat shock proteins research RNA and protein synthesis mechanisms

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
16 March 2026
Language
EN