Unbreaking Assemblies in Molecular Simulations with Periodic Boundaries

[Image: see text] In molecular simulations, periodic boundary conditions are typically used to avoid surface effects occurring at the boundaries of the simulation box. A consequence of this is that molecules and assemblies may appear split over the boundaries. Broken molecular assemblies make it dif...

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Detalles Bibliográficos
Autores principales: Bruininks, Bart M. H., Wassenaar, Tsjerk A., Vattulainen, Ilpo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268952/
https://www.ncbi.nlm.nih.gov/pubmed/37171034
http://dx.doi.org/10.1021/acs.jcim.2c01574

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268952/
https://www.ncbi.nlm.nih.gov/pubmed/37171034
http://dx.doi.org/10.1021/acs.jcim.2c01574

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