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Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling.

, , , , , and . J. Chem. Inf. Model., 57 (8): 1970-1989 (August 2017)

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Learning to design protein-protein interactions with enhanced generalization., , , , , , , , , and 1 other author(s). CoRR, (2023)CAVER: Algorithms for Analyzing Dynamics of Tunnels in Macromolecules., , , , , and . IEEE ACM Trans. Comput. Biol. Bioinform., 13 (3): 505-517 (2016)PredictONCO: a web tool supporting decision-making in precision oncology by extending the bioinformatics predictions with advanced computing and machine learning., , , , , , , , , und 3 andere Autor(en). Briefings Bioinform., (November 2023)CAVER: a new tool to explore routes from protein clefts, pockets and cavities., , , , , und . BMC Bioinform., (2006)A Molecular Modeling Study of the Catalytic Mechanism of Haloalkane Dehalogenase. 2. Quantum Chemical Study of Complete Reaction Mechanism., , , und . J. Chem. Inf. Comput. Sci., 38 (4): 736-741 (1998)Multi-Enzyme Pathway Optimisation Through Star-Shaped Reachable Sets., , und . PACBB, Volume 616 von Advances in Intelligent Systems and Computing, Seite 9-17. Springer, (2017)PDBe-KB: collaboratively defining the biological context of structural data., , , , , , , , , und 61 andere Autor(en). Nucleic Acids Res., 50 (D1): 534-542 (2022)Mechanism-Based Discovery of Novel Substrates of Haloalkane Dehalogenases Using in Silico Screening., , , , und . J. Chem. Inf. Model., 55 (1): 54-62 (2015)LoopGrafter: a web tool for transplanting dynamical loops for protein engineering., , , , , , , , , und 1 andere Autor(en). Nucleic Acids Res., 50 (W1): 465-473 (2022)CETOCOEN Project: From the Laboratory to the Field and Beyond., , , , , und . ISESS, Volume 359 von IFIP Advances in Information and Communication Technology, Seite 491-499. Springer, (2011)