Martini 3 application for the design of bistable nanomachines
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866911367309557760 |
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| author | Muratov, Alexander D. Avetisov, Vladik A. |
| author_facet | Muratov, Alexander D. Avetisov, Vladik A. |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2507_14319 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Martini 3 application for the design of bistable nanomachines Muratov, Alexander D. Avetisov, Vladik A. Mesoscale and Nanoscale Physics Soft Condensed Matter Chaotic Dynamics Computational Physics 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. |
| title | Martini 3 application for the design of bistable nanomachines |
| topic | Mesoscale and Nanoscale Physics Soft Condensed Matter Chaotic Dynamics Computational Physics |
| url | https://arxiv.org/abs/2507.14319 |