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Asymmetric Periodic Boundary Conditions for All-Atom Molecular Dynamics and Coarse-Grained Simulations of Nucleic Acids
[Image: see text] Periodic boundary conditions are commonly applied in molecular dynamics simulations in the microcanonical (NVE), canonical (NVT), and isothermal–isobaric (NpT) ensembles. In their simplest application, a biological system of interest is placed in the middle of a solvation box, whic...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544013/ https://www.ncbi.nlm.nih.gov/pubmed/37713594 http://dx.doi.org/10.1021/acs.jpcb.3c03887 |