PyFolding

PyFolding provides Python-based graphing, analysis, and simulation of protein biophysical properties for studies of folding thermodynamics and kinetics.

Key Features:

• Graphing, analysis, and simulation: Performs graphing, quantitative analysis, and numerical simulation of protein biophysical properties.
• Multiphase kinetic folding analysis: Fits linked equations to multiphase kinetic folding data to extract kinetic phases and parameters.
• Global fitting of multiple datasets: Supports simultaneous fitting of diverse datasets for shared-parameter estimation across experiments.
• Thermodynamic analysis with Ising model variants: Implements variants of the Ising model to analyze repeat protein thermodynamics.
• Complex model fitting for large datasets: Applies nonlinear curve fitting to complex models across large datasets.

Scientific Applications:

• Protein folding thermodynamics: Quantitative analysis of thermodynamic parameters for folding and stability, including repeat proteins analyzed with Ising models.
• Protein folding kinetics: Analysis of multiphase kinetic folding data and extraction of rate constants via linked-equation fitting.
• Structural biology and biochemistry: Modeling and simulation to support interpretation of structural and biochemical experiments.

Methodology:

Nonlinear curve fitting of linked equations to multiphase kinetic data, global simultaneous fitting across datasets, thermodynamic modeling using Ising model variants, and numerical simulation and graphing of biophysical properties.