The Protein Adsorption Predictor is a graphical user interface (GUI) designed to forecast protein concentration on surfaces using semi-empirical relationships that link protein mass adsorbed on surfaces with various parameters such as protein concentration in solution, the contact angle of the adsorbing surface, ionic strength, temperature of the carrying fluid, the difference between the pH of the fluid and the isoelectric point of the protein and the pH of the fluid.
This app is available for download Protein Adsorption Predictor.
Elements:
Protein Drop-down
Allows the user to select one of four benchmark proteins: Albumin (ID: 1BJ5), Fibrinogen (ID: 1M1J), Immunoglobulin G (ID: 1IGT), and Lysozyme (ID: 2LYZ).
Input Parameters
Once the proteins are selected, the user enters input parameters one by one. The first parameter, surface contact angle, determines the surface type, which can be either hydrophilic or hydrophobic. The program indicates the type of adsorbing surface by bolding either ‘Hydrophilic surface’ or ‘Hydrophobic surface’ in the ‘Recommended Range’ text box.
Unit Selection
The final input opens drop-down lists for selecting units of protein concentration on the surface, including “mg/m^2” and “monolayer”. The predicted value (with error estimation) for the chosen protein and input values will be displayed in the selected unit.
Run Functionality
The “Run” button executes the program, requiring all necessary values to be inputted.
Recommended Range
The app provides users with recommended ranges for the adsorbing surface contact angles, the protein concentration in solution, the solution temperatures, the difference between the pH of the carrier fluid and the isoelectric point of the adsorbed protein, and the pH of the carrier fluid. These ranges, expressed in the recommended range, are derived from experimental parameters used to perform the regression analysis.
Additional Features
The “Notice” text box offers guidance on app usage, displaying comment lines to assist users.
If user inputs fall outside the recommended range, the program prompts confirmation to continue.
The “Save” button allows users to save input and output parameters as a text file in a specified folder.
The “New” button clears all input and output parameters for new data entry.
Color Coding
Green: Indicates user inputs within recommended ranges.
Blue: Highlights when inputs are outside recommended ranges, with related text boxes displayed in blue.
Error Handling
Displays error messages in the “Notice” text box if prediction outcomes are unacceptable, even within recommended ranges.
Protein Characteristics Display
In this section of the GUI, users can view the sphericity and hydrophilicity/hydrophobicity characteristics of the selected protein.
