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Negin Manshour
Negin Manshour
Graduate Student
United States

Public Documents 1
Integrating Protein Structure Prediction and Bayesian Optimization for Peptide Design
Negin Manshour

Negin Manshour

and 3 more

March 15, 2024
Peptide design, with the goal of identifying peptides possessing unique biological properties, stands as a crucial challenge in peptide-based drug discovery. While traditional and computational methods have made significant strides, they often encounter hurdles due to the complexities and costs of laboratory experiments. Recent advancements in deep learning and Bayesian Optimization have paved the way for innovative research in this domain. In this context, our study presents a novel approach that effectively combines protein structure prediction with Bayesian Optimization for peptide design. By applying carefully designed objective functions, we guide and enhance the optimization trajectory for new peptide sequences. Benchmarked against multiple native structures, our methodology is tailored to generate new peptides to their optimal potential biological properties.

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