How Are Substrate Binding and Catalysis Affected by Mutating Glu(127) and Arg(161) in Prolyl-4-hydroxylase? A QM/MM and MD Study

por Timmins, Amy, de Visser, Sam P.
Publicado 2017

Nitrogen Reduction to Ammonia on a Biomimetic Mononuclear Iron Centre: Insights into the Nitrogenase Enzyme

por Kaczmarek, Monika A., Malhotra, Abheek, Balan, G. Alex, Timmins, Amy, de Visser, Sam P.
Publicado 2017

Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?

por Timmins, Amy, Fowler, Nicholas J., Warwicker, Jim, Straganz, Grit D., de Visser, Sam P.
Publicado 2018

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes

por Postils, Verònica, Saint-André, Maud, Timmins, Amy, Li, Xiao-Xi, Wang, Yong, Luis, Josep M., Solà, Miquel, de Visser, Sam P.
Publicado 2018