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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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Bibliografiset tiedot
Päätekijät: Beierlein, Frank R., Kneale, G. Geoff, Clark, Timothy
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: The Biophysical Society 2011
Aiheet:
Linkit: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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