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Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations
Background: Molecular dynamics (MD) simulations have become an important tool to provide insight into molecular processes involving biomolecules such as proteins, DNA, carbohydrates and membranes. As these processes cover a wide range of time scales, multiple time-step integration methods are often...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
F1000 Research Limited
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6441880/ https://www.ncbi.nlm.nih.gov/pubmed/30997032 http://dx.doi.org/10.12688/f1000research.16715.3 |