Martini 3 application for the design of bistable nanomachines

Alexander D. Muratov; Vladik A. Avetisov

doi:10.1063/5.0295268

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arXiv · 2507.14319

Martini 3 application for the design of bistable nanomachines

Alexander D. Muratov·Vladik A. Avetisov

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Abstract

During our previous modeling using all-atom molecular dynamics, we have identified several foldamers whose nanoscale behavior resembles that of classic bistable machines, namely the Euler archs and Duffing oscillators. However, time limitations of the all-atom molecular dynamics prevent us from performing a full-scale investigation of long-time behavior and prompt us to develop a coarse-grained model. In this work, we summarize our recent research on developing such models using the most widely available method called Martini.

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Alexander D. Muratov, Vladik A. Avetisov. 2025-07-18. Martini 3 application for the design of bistable nanomachines. https://doi.org/10.1063/5.0295268

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