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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Hyde affinity analysis of most active inhibitor 3a. The favorably contributing structural elements (atoms and torsions) to the overall binding energy colored blue, unfavorably are colored in red, and neutral elements are in white.