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Radiother Oncol (2019) 138:916

Secondly, MD simulation can precisely calculate binding free energies, helping to pinpoint which small structural tweaks can really boost affinity

The high frequency of the NAT2 and also NAT1 acetylation polymorphism in human population together with ubiquitous exposure to aromatic and heterocyclic amines suggest that and acetylator genotypes are important modifiers of human cancer susceptibility