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Guallar, Victor, Friesner, Richard A. (2004) Cytochrome P450CAM Enzymatic Catalysis Cycle:  A Quantum Mechanics/Molecular Mechanics Study. Journal Of The American Chemical Society, 126 (27) 8501-8508 doi:10.1021/ja036123b

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Reference TypeJournal (article/letter/editorial)
TitleCytochrome P450CAM Enzymatic Catalysis Cycle:  A Quantum Mechanics/Molecular Mechanics Study
JournalJournal Of The American Chemical Society
AuthorsGuallar, VictorAuthor
Friesner, Richard A.Author
Year2004 (July)Volume126
Issue27
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja036123bSearch in ResearchGate
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Mindat Ref. ID1630797Long-form Identifiermindat:1:5:1630797:1
GUID0
Full ReferenceGuallar, Victor, Friesner, Richard A. (2004) Cytochrome P450CAM Enzymatic Catalysis Cycle:  A Quantum Mechanics/Molecular Mechanics Study. Journal Of The American Chemical Society, 126 (27) 8501-8508 doi:10.1021/ja036123b
Plain TextGuallar, Victor, Friesner, Richard A. (2004) Cytochrome P450CAM Enzymatic Catalysis Cycle:  A Quantum Mechanics/Molecular Mechanics Study. Journal Of The American Chemical Society, 126 (27) 8501-8508 doi:10.1021/ja036123b
In(2004, July) Journal Of The American Chemical Society Vol. 126 (27) American Chemical Society (ACS)

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Friesner, Richard A., Guallar, Victor (2005) AB INITIO QUANTUM CHEMICAL AND MIXED QUANTUM MECHANICS/MOLECULAR MECHANICS (QM/MM) METHODS FOR STUDYING ENZYMATIC CATALYSIS. Annual Review of Physical Chemistry, 56. 389-427 doi:10.1146/annurev.physchem.55.091602.094410
Altun, Ahmet, Kumar, Devesh, Neese, Frank, Thiel, Walter (2008) Multireference Ab Initio Quantum Mechanics/Molecular Mechanics Study on Intermediates in the Catalytic Cycle of Cytochrome P450cam†. The Journal of Physical Chemistry A, 112 (50). 12904-12910 doi:10.1021/jp802092w
Altun, Ahmet, Guallar, Victor, Friesner, Richard A., Shaik, Sason, Thiel, Walter (2006) The Effect of Heme Environment on the Hydrogen Abstraction Reaction of Camphor in P450camCatalysis:  A QM/MM Study. Journal Of The American Chemical Society, 128 (12) 3924-3925 doi:10.1021/ja058196w
Gherman, Benjamin F., Lippard, Stephen J., Friesner, Richard A. (2005) Substrate Hydroxylation in Methane Monooxygenase:  Quantitative Modeling via Mixed Quantum Mechanics/Molecular Mechanics Techniques. Journal Of The American Chemical Society, 127 (3) 1025-1037 doi:10.1021/ja049847b
Guallar, Victor, Jacobson, Matt, McDermott, Ann, Friesner, Richard A (2004) Computational Modeling of the Catalytic Reaction in Triosephosphate Isomerase. Journal of Molecular Biology, 337 (1). 227-239 doi:10.1016/j.jmb.2003.11.016
Guallar, Victor, Jarzecki, Andrzej A., Friesner, Richard A., Spiro, Thomas G. (2006) Modeling of Ligation-Induced Helix/Loop Displacements in Myoglobin:  Toward an Understanding of Hemoglobin Allostery. Journal Of The American Chemical Society, 128 (16) 5427-5435 doi:10.1021/ja057318h
Besley, Nicholas A., Oakley, Mark T., Cowan, Alexander J., Hirst, Jonathan D. (2004) A Sequential Molecular Mechanics/Quantum Mechanics Study of the Electronic Spectra of Amides. Journal Of The American Chemical Society, 126 (41) 13502-13511 doi:10.1021/ja047603l
Guallar, Victor, Gherman, Benjamin F., Miller, William H., Lippard, Stephen J., Friesner, Richard A. (2002) Dynamics of Alkane Hydroxylation at the Non-Heme Diiron Center in Methane Monooxygenase. Journal Of The American Chemical Society, 124 (13) 3377-3384 doi:10.1021/ja0167248
Sproviero, Eduardo M., Gascón, José A., McEvoy, James P., Brudvig, Gary W., Batista, Victor S. (2008) Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II. Journal Of The American Chemical Society, 130 (11) 3428-3442 doi:10.1021/ja076130q
Schöneboom, Jan C., Cohen, Shimrit, Lin, Hai, Shaik, Sason, Thiel, Walter (2004) Quantum Mechanical/Molecular Mechanical Investigation of the Mechanism of C−H Hydroxylation of Camphor by Cytochrome P450cam:  Theory Supports a Two-State Rebound Mechanism. Journal Of The American Chemical Society, 126 (12) 4017-4034 doi:10.1021/ja039847w
Gherman, Benjamin F., Goldberg, Shalom D., Cornish, Virginia W., Friesner, Richard A. (2004) Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Study of the Deacylation Reaction in a Penicillin Binding Protein (PBP) versus in a Class C β-Lactamase. Journal Of The American Chemical Society, 126 (24) 7652-7664 doi:10.1021/ja036879a
 
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