Significance This paper discusses simulation techniques used to study the formation of organized protein assemblies on cell–cell interfaces. The simulations emphasize the need for a realistic representation of protein structure… Click to show full abstract
Significance This paper discusses simulation techniques used to study the formation of organized protein assemblies on cell–cell interfaces. The simulations emphasize the need for a realistic representation of protein structure when studying such cellular phenomena. The results provide a detailed explanation of how many receptor proteins are designed to form one-dimensional zippers and provide a detailed molecular picture of the kinetics of this process. The simulations also reveal the driving force that leads one-dimensional zippers to form two-dimensional arrays. As such, they provide a unified picture of assembly formation of the clustered protocadherins explored in this work and suggest general principles common to many other adhesion proteins.
Journal Title: Proceedings of the National Academy of Sciences of the United States of America
Year Published: 2022
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