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. 2017 Nov 9;10:357. doi: 10.3389/fnmol.2017.00357

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Copyright © 2017 Ganai, Abdullah, Rashid and Altaf.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Diagrams obtained after performing molecular dynamics simulation of HC-toxin-HDAC1 and HC-toxin-HDAC2 docked complexes for around 100 ns. While (A,B) indicate the RMSF of HDAC1 and HDAC2 in docked state with HC-toxin, (C,D) represent the RMSF of the defined HDACs in bound state with the HC-toxin. Different types of interactions between HC-toxin and the two HDACs. (E,G) represent interaction profile of HC-toxin-HDAC1; (F,H) represent same profile for HC-toxin-HDAC2. Consider interactions made by HC-toxin with receptor which includes both HDAC1 and HDAC2 and their cofactor Zn.