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Dias, Artur Hermano Sampaio, Cao, Yuanxin, Skaf, Munir S., de Visser, Sam P. (2024) Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments. Physical Chemistry Chemical Physics, 26 (25) 17577-17587 doi:10.1039/d4cp01282h

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Reference TypeJournal (article/letter/editorial)
TitleMachine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments
JournalPhysical Chemistry Chemical Physics
AuthorsDias, Artur Hermano SampaioAuthor
Cao, YuanxinAuthor
Skaf, Munir S.Author
de Visser, Sam P.Author
Year2024Volume26
Page(s)17577-17587Issue25
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d4cp01282hSearch in ResearchGate
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Mindat Ref. ID17514599Long-form Identifiermindat:1:5:17514599:9
GUID0
Full ReferenceDias, Artur Hermano Sampaio, Cao, Yuanxin, Skaf, Munir S., de Visser, Sam P. (2024) Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments. Physical Chemistry Chemical Physics, 26 (25) 17577-17587 doi:10.1039/d4cp01282h
Plain TextDias, Artur Hermano Sampaio, Cao, Yuanxin, Skaf, Munir S., de Visser, Sam P. (2024) Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments. Physical Chemistry Chemical Physics, 26 (25) 17577-17587 doi:10.1039/d4cp01282h
In(2024) Physical Chemistry Chemical Physics Vol. 26 (25) Royal Society of Chemistry (RSC)

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Hermano Sampaio Dias, Artur, Yadav, Rolly, Mokkawes, Thirakorn, Kumar, Asheesh, Skaf, Munir S., Sastri, Chivukula V., Kumar, Devesh, de Visser, Sam P. (2023) Biotransformation of Bisphenol by Human Cytochrome P450 2C9 Enzymes: A Density Functional Theory Study. Inorganic Chemistry, 62 (5) 2244-2256 doi:10.1021/acs.inorgchem.2c03984
Qureshi, Muizz, Mokkawes, Thirakorn, Cao, Yuanxin, de Visser, Sam P. (2024) Mechanism of the Oxidative Ring-Closure Reaction during Gliotoxin Biosynthesis by Cytochrome P450 GliF. International Journal of Molecular Sciences, 25 (16) 8567 doi:10.3390/ijms25168567
Porro, Cristina S., Kumar, Devesh, de Visser, Sam P. (2009) Electronic properties of pentacoordinated heme complexes in cytochrome P450 enzymes: search for an Fe(i) oxidation state. Physical Chemistry Chemical Physics, 11 (43). 10219pp. doi:10.1039/b911966c
Chowdhury, Ahmed Shahria, Ali, Hafiz Saqib, Faponle, Abayomi S., de Visser, Sam P. (2020) How external perturbations affect the chemoselectivity of substrate activation by cytochrome P450 OleTJE. Physical Chemistry Chemical Physics, 22 (46) 27178-27190 doi:10.1039/d0cp05169a
Mallinson, Sam J. B., Machovina, Melodie M., Silveira, Rodrigo L., Garcia-BorrĂ s, Marc, Gallup, Nathan, Johnson, Christopher W., Allen, Mark D., Skaf, Munir S., Crowley, Michael F., Neidle, Ellen L., Houk, Kendall N., Beckham, Gregg T., DuBois, Jennifer L., McGeehan, John E. (2018) A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nature Communications, 9. doi:10.1038/s41467-018-04878-2
de Visser, Sam P. (2007) Preferential Hydroxylation over Epoxidation Catalysis by a Horseradish Peroxidase Mutant:  A Cytochrome P450 Mimic. The Journal of Physical Chemistry B, 111 (42). 12299-12302 doi:10.1021/jp075818m
Neumann, Lucas S. M., Dias, Artur H. S., Skaf, Munir S. (2020) Molecular Modeling of Aquaporins from Leishmania major. The Journal of Physical Chemistry B, 124 (28) 5825-5836 doi:10.1021/acs.jpcb.0c03550
Mokkawes, Thirakorn, de Visser, Sam P. (2023) Caffeine Biodegradation by Cytochrome P450 1A2. What Determines the Product Distributions?. Chemistry – A European Journal, 29 (32) doi:10.1002/chem.202203875
Cao, Yuanxin, Wong, Henrik P. H., Warwicker, Jim, Hay, Sam, de Visser, Sam P. (2024) What is the Origin of the Regioselective C3‐Hydroxylation of L‐Arg by the Nonheme Iron Enzyme Capreomycin C? Chemistry – A European Journal, 30 (66). doi:10.1002/chem.202402604
Dixit, Vaibhav A., Murty, Upadhyayula Suryanarayana, Bajaj, Priyanka, Blumberger, Jochen, de Visser, Sam P. (2022) Mechanisms of Electron Transfer Rate Modulations in Cytochrome P450 BM3. The Journal of Physical Chemistry B, 126 (47) 9737-9747 doi:10.1021/acs.jpcb.2c03967
de Visser, Sam P., Ogliaro, François, Harris, Nathan, Shaik, Sason (2001) Multi-State Epoxidation of Ethene by Cytochrome P450:  A Quantum Chemical Study. Journal Of The American Chemical Society, 123 (13) 3037-3047 doi:10.1021/ja003544+
 
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