Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations

KLVANA, M., PAVLOVÁ, M., KOUDELÁKOVÁ, T., CHALOUPKOVÁ, R., DVOŘÁK, P., PROKOP, Z., STSIAPANAVA, A., KUTÝ, Michal, KUTÁ-SMATANOVÁ, Ivana, DOHNÁLEK, Jan, KULHÁNEK, P., DAMBORSKÝ, J. Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations. Journal of Molecular Biology. 2009, 392(5), 1339-1356. ISSN 0022-2836. E-ISSN 1089-8638. Available: doi: 10.1016/j.jmb.2009.06.076