An accurate and efficient procedure of fitting electric field potential by point charges for QM/MM calculations
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Journal Article
Conference Proceeding
Electron transfer in ferredoxin: are tunneling pathways evolutionarily conserved?
Daizadeh, Iraj, Medvedev, Dmitry M, Stuchebrukhov, Alexei A
Published in Molecular biology and evolution (01.04.2002)
Published in Molecular biology and evolution (01.04.2002)
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Journal Article
Two-electron reduction of ubiquinone in respiratory complex I
Stuchebrukhov, Alexei A., Hagras, Muhammad A.
Published in Biochimica et biophysica acta. Bioenergetics (01.09.2018)
Published in Biochimica et biophysica acta. Bioenergetics (01.09.2018)
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Journal Article
DFT/Electrostatic Calculations of pKa Values in Cytochrome c Oxidase
POPOVIć, Dragan M., QUENNEVILLE, Jason, STUCHEBRUKHOV, Alexei A.
Published in The journal of physical chemistry. B (03.03.2005)
Published in The journal of physical chemistry. B (03.03.2005)
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Journal Article
Histidine in continuum electrostatics protonation state calculations
Couch, Vernon, Stuchebrukhov, Alexei
Published in Proteins, structure, function, and bioinformatics (01.12.2011)
Published in Proteins, structure, function, and bioinformatics (01.12.2011)
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Journal Article
Quantum Electron Tunneling in Respiratory Complex I1
Hayashi, Tomoyuki, Stuchebrukhov, Alexei A.
Published in The journal of physical chemistry. B (15.04.2011)
Published in The journal of physical chemistry. B (15.04.2011)
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Journal Article
Docking and Migration of Carbon Monoxide in Nitrogenase: The Case for Gated Pockets from Infrared Spectroscopy and Molecular Dynamics
Gee, Leland B, Leontyev, Igor, Stuchebrukhov, Alexei, Scott, Aubrey D, Pelmenschikov, Vladimir, Cramer, Stephen P
Published in Biochemistry (Easton) (02.06.2015)
Published in Biochemistry (Easton) (02.06.2015)
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Journal Article
Electron Tunneling in Quasi-One-Dimensional Resonant Molecular Systems. Ab Initio Study
Heifets, Eugene N, Daizadeh, Iraj, Guo, Jian-xin, Stuchebrukhov, Alexei A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.04.1998)
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Journal Article
Computational Studies of Electron Tunneling in Respiratory Complex III
Hagras, Muhammad A., Hayashi, Tomoyuki, Stuchebrukhov, Alexei A.
Published in Biophysical journal (28.01.2014)
Published in Biophysical journal (28.01.2014)
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Journal Article