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Fixman compensating potential for general branched molecules
The technique of constraining high frequency modes of molecular motion is an effective way to increase simulation time scale and improve conformational sampling in molecular dynamics simulations. However, it has been shown that constraints on higher frequency modes such as bond lengths and bond angl...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3888462/ https://ncbi.nlm.nih.gov/pubmed/24387353 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4851315 |
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