The catalytic reaction of thrombin; the formation of the first tetrahedral intermediate state studied by ONIOM type hybrid quantum mechanics / molecular mechanics

Autor Tóth, László, Komáromi, István
Zdroj: 1. Structure and stability of biomacromolecules SSB 2007 1. Košice : Univerzita Pavla Jozefa Šafárika, 2007 1. S. 136-137 1. 9788070976937

The dynamics and the possible activation mechanism of tissue transglutaminase (TGase II) from in silico experiment

Autor Mucs, Daniel, Muszbek, L., Komáromi, István
Zdroj: 1. Structure and stability of biomacromolecules SSB 2007 1. Košice : Univerzita Pavla Jozefa Šafárika, 2007 1. S. 134-135 1. 9788070976937

Mechanism of irreversible inhibition of human cyclooxygenase-1 by Aspirin as QM/MM calculations predict

Autor Tóth, László, Komáromi, István, Muszbek, L.
Zdroj: 1. Structure and stability of biomacromolecules SSB 2009. Book of contributions 1. Košice : Ústav experimentálnej fyziky Slovenskej akadémie vied, 2009 1. 9788096806065 1. S. 131

How do the blood coagulation proteins thrombin, factor X and factor XIII work? What we can learn from ONIOM type hybrid QM/MM calculations and molecular dynamics simulations?

Autor Komáromi, István, Tóth, László, Mucs, Daniel, Muszbek, L.
Zdroj: 1. Structure and stability of biomacromolecules SSB 2007 1. Košice : Univerzita Pavla Jozefa Šafárika, 2007 1. S. 24-25 1. 9788070976937