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Redox potential in flavin

Redox potential in flavin. FAD + e - → FAD - Calculating accurate redox potentials in enzymes with a combined QM/MM free energy perturbation approach – J. Theor. Comp. Chem. *** use eq. coord. of neutral state for charged state energy calculation (not optimize). Energy calculation using GAMESS.

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Redox potential in flavin

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  1. Redox potential in flavin • FAD + e-→ FAD- Calculating accurate redox potentials in enzymes with a combined QM/MM free energy perturbation approach – J. Theor. Comp. Chem.

  2. *** use eq. coord. of neutral state for charged state energy calculation (not optimize) • Energy calculation using GAMESS

  3. -|V0| = -45 kcal/mol, λ0=1/2kq02=45kcal/mol (-37.6?) ( 6.4?)

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