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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...
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| Publicado no: | J Phys Chem B |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4315417/ https://ncbi.nlm.nih.gov/pubmed/25517406 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp509136y |
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