Prediction of dual agents as an activator of mutant p53 and inhibitor of Hsp90 by docking, molecular dynamic simulation and virtual screening
Keywords: Hsp90, heat shock protein90; MDs, molecular dynamic simulations; Rg, radius of gyration; RMSD, root mean square deviation; RMSF, root mean square fluctuation; VS, virtual screeningDocking; Dual agent; Hsp90 inhibitors; Molecular dynamic simulations; P53;