Martini 3 application for the design of bistable nanomachines
arXiv:2507.14319 · doi:10.1063/5.0295268
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.
9 pages, 5 figures, 1 table
References in corpus (7)
- Canonical sampling through velocity-rescaling
- Fluctuation-induced current from freestanding graphene: toward nanoscale energy harvesting
- Short pyridine-furan springs exhibit bistable dynamics of Duffing oscillators
- Spontaneous Vibrations and Stochastic Resonance of Short Oligomeric Springs
- Modelling of thermosensitive stereoregular polymers within MARTINI coarse-grained force-field: poly(N-isopropylacrylamide) as a benchmark case
- Spontaneous synchronization of two bistable pyridine-furan nanosprings connected by an oligomeric bridge
- Coarse-graining bistability with the Martini force field