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Using the same start structures and same computational demand regular MD simulations sampled near native complex structures only for one case. The method showed also improved results for the refinement of docked structures in the vicinity of the native binding geometry compared to regular MD refinement. © 2020 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.Exendin-4, a glucagon-like peptide-1 receptor agonist, was shown to prtect against cardiac ischemia/reperfusion (I/R) injury by suppressing oxida
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