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. 2016 Nov 4;10:3611–3632. doi: 10.2147/DDDT.S111914

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© 2016 Babu et al. This work is published and licensed by Dove Medical Press Limited

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(A) The snapshots of docking pose of ZINC67903192 and total H-bond intensity at various time scale intervals in 20 ns complex molecular dynamic simulations with human growth factor receptor-2; (B) hydrogen bond diagram between ZINC67903192 and active site residues, namely, Leu726, Gly727, Ser728, Met801, Thr862, and Asp863 of human growth factor receptor-2.

Note: Black squares indicate the presence of H-bond and white squares correspond to the absence of H-bond throughout the time scale of 20 ns molecular dynamic simulations.