Bobby
Estrada
REU in Structural and Computational Biology & Biophysics Numerical Assessment at Equilibrium of the Binding Between One Ligand and Multiple Targeted Proteins: A Web Based Application
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Authors:
Bobby Estrada
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About Paper:
In cases where one ligand binds to multiple proteins, it is important to quantify how these molecules will interact with one another. However, current tools do not characterize binding between a single ligand and multiple targeted proteins. This project helps fill this gap by generalizing previously known models for binding among one ligand and multiple targeted proteins, then numerically solving for free ligand concentrations. To assist with the process of finding the fraction of ligand-bound protein, an easily accessible web app was constructed through Streamlit. With this web app, researchers can better quantitatively understand the competitive interactions before experimentation, with the only necessary inputs from experimental parameters. Thus through this model, researchers can gather predictive insights about the fraction of ligand-bound protein.
Source:
Purdue University / 2023
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Co-authors:
Bobby Estrada