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Predicted relative torsional (Etor) energy (A,B) and bond length (Ebond) energy (C,D) for closed-ring (OR) and transition state (TS) forms of midazolam complexed with TRIMEB. A fit spline and smoothing curves are implemented to connect and fit the data points. All atoms comprising the torsional angle are depicted as grey spheres and measured bonds are illustrated as bold lines.
