Article
A theoretical study of the physicochemical mechanisms associated with DNA recognition modulation in artificial zinc-finger proteins.
The journal of physical chemistry. B - 28 Apr 2011
Mori Hirotoshi, Ueno-Noto Kaori
Abstract excerpt
The DNA-binding ability of the zinc-finger (ZF) protein and the modulation of its affinity to DNA through amino acid mutations were theoretically investigated. Classical molecular dynamics and energy decomposition analysis based on large-scale ab initio fragment molecular orbital calculations were used to obtain the DNA binding affinities of wild-type and three mutant ZFs. Calculated binding free energies...
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