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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Beierlein, Frank R., Kneale, G. Geoff, Clark, Timothy
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: The Biophysical Society 2011
Gaiak:
Nucleic Acid
Sarrera elektronikoa: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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