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Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics
[Image: see text] Internal coordinates such as bond lengths, bond angles, and torsion angles (BAT) are natural coordinates for describing a bonded molecular system. However, the molecular dynamics (MD) simulation methods that are widely used for proteins, DNA, and polymers are based on Cartesian coo...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4315417/ https://www.ncbi.nlm.nih.gov/pubmed/25517406 http://dx.doi.org/10.1021/jp509136y |