Article
Dynamics and thermodynamics of water around EcoRI bound to a minimally mutated DNA chain.
Physical chemistry chemical physics : PCCP - 21 Sept 2012
Ramakrishnan Vigneshwar, Rajagopalan Raj
Abstract excerpt
Water plays an important role in protein-DNA interactions. Here, we examine using molecular dynamics simulations the differences in the dynamic and thermodynamic properties of water in the interfacial and intercalating regions of EcoRI bound to the cognate and to a minimally mutated noncognate DNA chain. The results show that the noncognate complex is not only more hydrated than the cognate complex, but the...
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