Work

Macrocyclic Peptides for C5aR1: Using ML, Physics-Based Methods, and Experimental Verification

Year: 2024

Type: dissertation

Abstract: This master’s thesis explores the design of macrocyclic peptides targeting the G-protein coupled receptor C5aR1 using advanced computational tools such as Rosetta and RFdiffusion, combined with physics-based modeling and experimental synthesis. The study demonstrates a design-science approach to molecular therapeutics, aiming for inverse agonism through selective anchor interaction. A full computational pipeline and synthesis strategy are presented.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.16751201

Author: Altuntas, Levent

Language: English

Topic: Chemical Synthesis and Analysis

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W6931135724

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