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Jadavji NM, Farr TD, Lips J, Khalil AA, Boehm-Sturm P, Foddis M, Harms C, Fchtemeier M, Dirnagl U

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Tumor volumes were calculated by using the formula V = ( D d 2 )/2 mm 3 , where D is the largest diameter and d is the shortest diameter

We then computed the QM-based descriptors (with both DFT and PM7 methods) on the experimental conformation, and we compared the results with those derived from the corresponding QM-optimized geometries (Supporting_TableS 4a, Supporting_TableS 4b)

doi: 10.1038/ni.2005 78 ProcacciniCDe RosaVGalganiMAbanniLCalGPorcelliniAet al