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(a) Combined tICA plots of all available humanization variants using the same tICA coordinate system with the projected modeled starting structures. For the murine antibody we obtained 9.6 μs and for the superhumanized antibody 11.1 μs of molecular dynamics trajectories. (b) Markov-state models with the respective state probabilities and timescales. (c) Representative macrostate structures color-coded according to the state probabilities in (b).
