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(A) ENMD-2076 chemical structure from virtual screening. (B) 2D inter-molecular interaction diagram of ENMD-2076 Aurora kinase A complex. (C) The Ramachandran diagrams of Aurora kinase A. (D) Schematic drawing of interactions between Aurora kinase A and ENMD-2076. (E) Average backbone root mean square deviations (RMSD) curve of ENMD-2076 Aurora kinase A complex. (F–G) Potential energy profiles of ENMD-2076 Aurora kinase A complex performed by molecular dynamic simulation.
