Article
Investigation of transcription factor Ndt80 affinity differences for wild type and mutant DNA: a molecular dynamics study.
Proteins - 1 Nov 2008
Hart Katarina, Nilsson Lennart
Abstract excerpt
Molecular dynamics simulations and free energy calculations have been performed on the transcription factor Ndt80 either in complex with the native DNA sequence or with a mutant DNA with a switched central base pair, C5-G5' to G5-C5'. This mutant has been shown to have a 100-fold decrease in binding affinity of Ndt80, and in this study we explain this both structurally and energetically. The major interactions...
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