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OTKA-106294
Aktiváció és konformációváltozás: az antitrombin III és a véralvadás XIII-as faktorának "A" alegysége
Balogh, G.,
Bereczky, Z.:
The Interaction of Factor Xa and IXa with Non-Activated Antithrombin in Michaelis Complex: Insights from Enhanced-Sampling Molecular Dynamics Simulations.
Biomolecules. 13 (5), 1-21, (article identifier: 795), 2023.
Fekete, A.,
Komáromi, I.,
Mucs, D.:
On the early events of the calcium induced activation of coagulation factor XIII-A2 and tissue transglutaminase: an in silico study.
J. Biomol. Struct. Dyn. 38 (1), 152-167, 2020.
Balogh, G.,
Komáromi, I.,
Bereczky, Z.:
The mechanism of high affinity pentasaccharide binding to antithrombin, insights from Gaussian accelerated molecular dynamics simulations.
J. Biomol. Struct. Dyn. 38 (16), 4718-4732, 2020.
Fekete, A.,
Komáromi, I.:
Modeling the archetype cysteine protease reaction using dispersion corrected density functional methods in ONIOM-type hybrid QM/MM calculations: the proteolytic reaction of papain.
Phys. Chem. Chem. Phys. 18 (48), 32847-32861, 2016.
