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Ohanian M, Kantarjian HM, Ravandi F, Borthakur G, Garcia-Manero G, Andreeff M , Jabbour E, Konopleva M, Lim M, Pierce S, O'Brien S, Quintas-Cardama A, Somer BG, Tari A, Verstovsek S, Wierda WG, and Cortes JE

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3.4 Application of molecular dynamics simulation in cancer drug target development Based on the earlier technical methods, MD simulation allows researchers to identify potential drug binding sites, analyze conformational changes of drug molecules, and assess the stability and activity of molecules under specific conditions, which is crucial for optimizing drug design (Dore et al., 2017)

Dirven HA, Dictus EL, Broeders NL, van Ommen B, van Bladeren PJ