Mechanistic Insights into Radical-Mediated Oxidation of Tryptophan from ab Initio Quantum Chemistry Calculations and QM/MM Molecular Dynamics Simulations

Wood Geoffrey P. F.; Sreedhara Alavattam; Moore Jamie M.; Wang John; Trout Bernhardt L.

Journal of Physical Chemistry A, Vol.120, No.18, 2926-2939, 2016

DOI10.1021/acs.jpca.6b02429 Export Citation

Mechanistic Insights into Radical-Mediated Oxidation of Tryptophan from ab Initio Quantum Chemistry Calculations and QM/MM Molecular Dynamics Simulations

Wood Geoffrey P. F., Sreedhara Alavattam, Moore Jamie M., Wang John, Trout Bernhardt L.