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Free-energy calculations for semi-flexible macromolecules: Applications to DNA knotting and looping
We present a method to obtain numerically accurate values of configurational free energies of semiflexible macromolecular systems, based on the technique of thermodynamic integration combined with normal-mode analysis of a reference system subject to harmonic constraints. Compared with previous free...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4241824/ https://ncbi.nlm.nih.gov/pubmed/25381542 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4900657 |
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