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CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures.
Chovancova E, Pavelka A, Benes P, Strnad O, Brezovsky J, Kozlikova B, Gora A, Sustr V, Klvana M, Medek P, Biedermannova L, Sochor J, Damborsky J. Chovancova E, et al. Among authors: klvana m. PLoS Comput Biol. 2012;8(10):e1002708. doi: 10.1371/journal.pcbi.1002708. Epub 2012 Oct 18. PLoS Comput Biol. 2012. PMID: 23093919 Free PMC article.
Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations.
Klvana M, Pavlova M, Koudelakova T, Chaloupkova R, Dvorak P, Prokop Z, Stsiapanava A, Kuty M, Kuta-Smatanova I, Dohnalek J, Kulhanek P, Wade RC, Damborsky J. Klvana M, et al. J Mol Biol. 2009 Oct 9;392(5):1339-56. doi: 10.1016/j.jmb.2009.06.076. Epub 2009 Jul 3. J Mol Biol. 2009. PMID: 19577578
39 results