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Molecular dynamics (MD) results for Trop-2 and Nb108 in terms of binding poses 1 and 2. The root-mean-square deviations (RMSDs) of Trop-2 and Nb108 in binding pose 1 (a) and 2 (b). The interactions between Trop-2 and Nb108 in binding pose 1 (c) and 2 (d). The free energy decomposition of residues in Trop-2 in binding pose 1 (e) and 2 (f). The backbone atoms (N, Cα, C, and O) are used to calculate RMSD and perform alignment.
