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Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations
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SYSNO ASEP 0331013 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations Author(s) Klvana, M. (CZ)
Pavlová, M. (CZ)
Koudeláková, T. (CZ)
Chaloupková, R. (CZ)
Dvořák, P. (CZ)
Prokop, Z. (CZ)
Stsiapanava, A. (CZ)
Kutý, Michal (UEK-B)
Kutá-Smatanová, Ivana (UEK-B) RID
Dohnálek, Jan (UMCH-V) RID
Kulhánek, P. (CZ)
Damborský, J. (CZ)Source Title Journal of Molecular Biology. - : Elsevier - ISSN 0022-2836
Roč. 392, č. 5 (2009), s. 1339-1356Number of pages 18 s. Language eng - English Country GB - United Kingdom Keywords haloalkane dehalogenase ; product release ; random acceleration molecular dynamics Subject RIV CD - Macromolecular Chemistry R&D Projects LC06010 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40500505 - UMCH-V (2005-2011) AV0Z60870520 - UEK-B (2005-2011) UT WOS 000270624100020 DOI 10.1016/j.jmb.2009.06.076 Annotation Eight mutants of the DhaA haloalkane dehalogenase carrying mutations at the residues lining two tunnels, previously observed by protein X-ray crystallography, were constructed and biochemically characterized. The mutants showed distinct catalytic efficiencies with the halogenated substrate 1,2,3-trichloropropane. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2010
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