Article
Conformational and hydration properties modulate ice recognition by type I antifreeze protein and its mutants.
Physical chemistry chemical physics : PCCP - 10 May 2017
Chakraborty Sandipan, Jana Biman
Abstract excerpt
The mechanism of ice recognition by antifreeze protein (AFP) is a topic of recent interest. Here, using equilibrium simulations and free energy calculations, we provide structural rationale to the observed experimental anomalies on type I AFP (wfAFP isoform HPLC6) and its mutants as well as probe the molecular origin of ice recognition by them. Our results clearly demonstrate that the interplay between the...
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