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Engineering CYP153AM.aq to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening

, , , , and . ChemCatChem, (2022)
DOI: 10.1002/cctc.202101648

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FireProt: Energy- and Evolution-Based Computational Design of Thermostable Multiple-Point Mutants., , , , , , , , , and . PLoS Computational Biology, (2015)Mechanism-Based Discovery of Novel Substrates of Haloalkane Dehalogenases Using in Silico Screening., , , , and . Journal of Chemical Information and Modeling, 55 (1): 54-62 (2015)CETOCOEN Project: From the Laboratory to the Field and Beyond., , , , , and . ISESS, volume 359 of IFIP Advances in Information and Communication Technology, page 491-499. Springer, (2011)CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels., , , , , , , , and . Bioinformatics, 35 (23): 4986-4993 (2019)Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization., , , , , and . Comput. Graph. Forum, 38 (3): 441-453 (2019)PredictSNP: Robust and Accurate Consensus Classifier for Prediction of Disease-Related Mutations., , , , , , , and . PLoS Computational Biology, (2014)FireProt: web server for automated design of thermostable proteins., , , , , , , , and . Nucleic Acids Research, 45 (Webserver-Issue): W393-W399 (2017)TRITON: in silico construction of protein mutants and prediction of their activities., , and . Bioinformatics, 16 (9): 845-846 (2000)Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations., , , , , and . Journal of Computer-Aided Molecular Design, 17 (5-6): 299-311 (2003)Mechanism of enhanced conversion of 1, 2, 3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling., , , , and . Journal of Computer-Aided Molecular Design, 20 (6): 375-383 (2006)