Simple Hydrophobic/Hydrophilic Protein Folding Model
written by
Ryan Kozlowski
the Simple Hydrophobic/Hydrophilic Protein Folding Model implements a 2-Dimensional hydrophobic/hydrophilic (HP) folding protein to test the energetics of protein folding, the change in size of a protein relative to energy, and the computation time for complex protein problems. A Metropolis Monte-Carlo algorithm is used to determine if randomly guided movements are carried out by monomers (non-specific amino acids) within the polymer (protein tertiary structure). The Monte-Carlo steps are run in a worker task (separate to EJS) while size and energy are periodically updated according to the Frames Per Second (FPS). A worker task isolates a single thread from the operating computer and uses that to cycle through a block of code as quickly as possible. In this case, one cycle constitutes one Monte-Carlo time step, the time unit. To accurately update data from a thread that runs outside of the EJS module, atomic variables are used. Every time the program updates the evolution page, the atomic variables for size and energy are recorded and added to the view (i.e. plots) for the polymer structure that occurred in the nearest worker task cycle to that evolution update.
The Simple Hydrophobic/Hydrophilic Protein Folding Model was created using the Easy Java/JavaScript Simulations (EjsS) version 5 modeling tool. It is distributed as a ready-to-run (compiled) Java archive.
Please note that this resource requires
at least version 1,6 of Java (JRE).
Simple Hydrophobic/Hydrophilic Protein Folding Project Report
Final report for Computational Physics (Phy 200). download 691kb .pdf
Last Modified: June 1, 2014
Simple Hydrophobic/Hydrophilic Protein Folding Model Poster
Davidson College student Research Symposium poster presentation. download 397kb .pdf
Last Modified: June 1, 2014
Simple Hydrophobic/Hydrophilic Protein Folding Source Code
The source code zip archive contains an XML representation of the Simple Hydrophobic/Hydrophilic Protein Folding Model. Unzip this archive in your EjsS workspace to compile and run this model using EjsS ver 5. download 751kb .zip
Last Modified: June 5, 2014
previous versions
<a href="https://www.compadre.org/OSP/items/detail.cfm?ID=13257">Kozlowski, Ryan. "Simple Hydrophobic/Hydrophilic Protein Folding Model." Version 1.0.</a>
R. Kozlowski, Computer Program SIMPLE HYDROPHOBIC/HYDROPHILIC PROTEIN FOLDING MODEL, Version 1.0 (2014), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13257&DocID=3782).
R. Kozlowski, Computer Program SIMPLE HYDROPHOBIC/HYDROPHILIC PROTEIN FOLDING MODEL, Version 1.0 (2014), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13257&DocID=3782>.
Kozlowski, R. (2014). Simple Hydrophobic/Hydrophilic Protein Folding Model (Version 1.0) [Computer software]. Retrieved October 6, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13257&DocID=3782
Kozlowski, Ryan. "Simple Hydrophobic/Hydrophilic Protein Folding Model." Version 1.0. https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13257&DocID=3782 (accessed 6 October 2024).
%0 Computer Program %A Kozlowski, Ryan %D 2014 %T Simple Hydrophobic/Hydrophilic Protein Folding Model %7 1.0 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13257&DocID=3782
Disclaimer: ComPADRE offers citation styles as a guide only. We cannot offer interpretations about citations as this is an automated procedure. Please refer to the style manuals in the Citation Source Information area for clarifications.
The Easy Java Simulations Modeling and Authoring Tool is needed to explore the computational model used in the Simple Hydrophobic/Hydrophilic Protein Folding Model.