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Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics
Most computer simulations of molecular dynamics take place under equilibrium conditions—in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are introduced to those simulations to probe one type of nonequil...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9033874/ https://www.ncbi.nlm.nih.gov/pubmed/35459863 http://dx.doi.org/10.1038/s41467-022-29393-3 |