Pathways and Mechanisms for Product Exit and Water Exchange in Engineered Haloalkane Dehalogenase DhaA Exploredusing Classical and Random Acceleration Molecular Dynamics Simulations

Klvaňa,  Martin; Pavlová,  Martina; Koudeláková,  Táňa; Chaloupková,  Radka; Dvořák,  Pavel; Stsiapanava,  Alena; Kutý,  Michal; Kutá-Smatanová,  Ivana; Dohnálek, J.; Kulhánek,  Petr; Wade, R.C.; Damborský,  Jiří

Pathways and Mechanisms for Product Exit and Water Exchange in Engineered Haloalkane Dehalogenase DhaA Exploredusing Classical and Random Acceleration Molecular Dynamics Simulations

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Authors	KLVAŇA Martin PAVLOVÁ Martina KOUDELÁKOVÁ Táňa CHALOUPKOVÁ Radka CHALOUPKOVÁ Radka STSIAPANAVA Alena KUTÝ Michal KUTÁ-SMATANOVÁ Ivana DOHNÁLEK J. KULHÁNEK Petr WADE R.C. DAMBORSKÝ Jiří
Year of publication	2008
Type	R&D Presentation
MU Faculty or unit	Faculty of Science
Citation
Description	Poster presented by Mgr. Martin Klvaňa on conference "Protein Design and Evolution for Biocatalysis" in Spain. The poster presents data obtained using Random Acceleration Molecular Dynamics Simulations related to pathways and mechanisms for product exit and water exchange in engineered haloalkane dehalogenase DhaA. Exploredusing Classical and
Related projects:	Proteins in metabolism and interaction of organisms with the environment Interactions among the chemicals, environment and biological systems and their consequences on the global, regional and local scales (INCHEMBIOL) Center of Biocatalysis and Biotransformation