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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/).
Molecular dynamics simulation time dependence of the distance between the phosphorus atom of soman and the hydroxyl oxygen of Tyr150 (dist(P-O)): the total trajectory (A) and the first 20 ps of the simulation (B).