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Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration
Thermodynamically rigorous free energy methods in principle allow the exact computation of binding free energies in biological systems. Here, we use thermodynamic integration together with molecular dynamics simulations of a DNA-protein complex to compute relative binding free energies of a series o...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3164145/ https://ncbi.nlm.nih.gov/pubmed/21889450 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2011.07.003 |
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