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Efficient Maintenance and Update of Nonbonded Lists in Macromolecular Simulations
[Image: see text] Molecular mechanics and dynamics simulations use distance based cutoff approximations for faster computation of pairwise van der Waals and electrostatic energy terms. These approximations traditionally use a precalculated and periodically updated list of interacting atom pairs, kno...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4196749/ https://ncbi.nlm.nih.gov/pubmed/25328494 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400474w |
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