Merging structural information from X-ray crystallography, quantum chemistry and EXAFS spectra: The oxygen evolving complex in PSII
J. Phys. Chem. B 120 10899- 10922, 2016
Chernev - Zaharieva - Rossini - Galstyan - Dau - Knapp
Computing pKa values of hexa-aqua transition metal complexes
J. Comp. Chem. 36 (2015) 69-78. , 2015
GGalstyan - Knapp
Mechanical rupture of mono- and bivalent transition metal complexes in experiment and theory
J. Phys. Chem. C 119 (2015) 4333-4343, 2015
Gensler - Eidamshaus - Galstyan - Knapp - Reissig - Rabe
Mechanical rupture of mono- and bivalent transition metal complexes in experiment and theory
J. Phys. Chem. C, 119, 4333-4343. , 2015
Gensler - Eidamshaus - Galstyan - Knapp - Reissig - Rabe
PSII Manganese Cluster: Protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations
BBA Bioenergetics 1837 1316-1321. , 2014
Robertazzi - Galstyan - Knapp
Lysine 362 in Cytochrome c Oxidase Regulates Opening of the K-Channel via Changes in pKA and Conformation
BBA Bioenergetics 1837 1998-2003. , 2014
Woelke - GGalstyan - Knapp
Proton Transfer in the K-Channel Analogue of B-Type Cytochrome c Oxidase from Thermus thermophilus
Biophys. J. doi:10.1016/j.bpj.2014.09.010, 2014
Woelke - Wagner - GGalstyan - Meyer - Knapp
Understanding Selectin Counter-Receptor Binding from Electrostatic Energy Computations and Experimental Binding Studies
J. Phys. Chem. B 117 16443-16454. , 2013
Woelke - Kuehne - Meyer - GGalstyan - Dernedde - Knapp
Exploring the Possible Role of Glu286 in CcO by Electrostatic Energy Computations Combined with Molecular Dynamics
J. Phys. Chem. B 117 12432-12441, 2013
Woelke - GGalstyan - Galstyan - Meyer - Heberle - Knapp
Oxygen-evolving Mn cluster in photosystem II: protonation pattern and oxidation state in the crystal
JACS 134 7442-7449, 2012
Galstyan - Robertazzi - Knapp
Computations of 36 tautomer/isomer equilibria of different lactams
J. Phys. Chem. A 116 6885-6893, 2012
GGalstyan - Knapp
Understanding properties of cofactors in proteins: redox potentials of synthetic cytochrome b
ChemPhysChem, 11, 1196-1206, 2010
Gamiz-Hernandez - Kieseritzky - Demir-Kavuk - Galstyan - Knapp
Understanding properties of cofactors in proteins: redox potentials of synthetic cytochromes b.
Chemphyschem. 11(6):1196-206. , 2010
Gamiz-Hernandez - Kieseritzky - Galstyan - Demir-Kavuk - Knapp
Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes
J. Comput. Chem., v.30, p.203211, 2009
A.Galstyan, - E.W.Knapp
Understanding rubredoxin redox potentials: role of H-bonds on model complexes
J. Chem. Theory Comput., 5, p.2898-2908, 2009
Gamiz-Hernandez - Galstyan - Knapp
Combined NMR and computational study for azide binding to human manganese superoxide dismutase
Solid State Nucl. Magn. Reson., 34, 6-13, 2008, 2008
Emmler - Ayala - Silverman - Hafner - A.Galstyan - Knapp - Buntkowsky
Redox potential of the non-heme iron complex in bacterial photosynthetic reaction center
Biochim. Biophys. Acta, v.1767, p.1300-1309, 2007
H.Ishikita - A.Galstyan - E.W.Knapp
Tuning electron transfer by ester-group of chlorophylls in bacterial photosynthetic reaction center
FEBS Lett. 579 (2005) 712-716, 2005
Ishikita - Loll - Biesiadka - Galstyan - Saenger - Knapp
Computational studies on energetics of imidazole heme conformations
J. Biol. Inorg. Chem., v.10, p.343-354, 2005
A.Galstyan - S.Zaric - E.W.Knapp
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