Wade RC - Search Results

1

Quantitative analysis of substrate specificity of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26.

Kmunícek J, Hynková K, Jedlicka T, Nagata Y, Negri A, Gago F, Wade RC, Damborský J. Kmunícek J, et al. Among authors: wade rc. Biochemistry. 2005 Mar 8;44(9):3390-401. doi: 10.1021/bi047912o. Biochemistry. 2005. PMID: 15736949

2

Comparative binding energy analysis of haloalkane dehalogenase substrates: modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.

Kmunícek J, Bohác M, Luengo S, Gago F, Wade RC, Damborský J. Kmunícek J, et al. Among authors: wade rc. J Comput Aided Mol Des. 2003 May-Jun;17(5-6):299-311. doi: 10.1023/a:1026159215220. J Comput Aided Mol Des. 2003. PMID: 14635723

3

Comparative binding energy analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10.

Kmunícek J, Luengo S, Gago F, Ortiz AR, Wade RC, Damborský J. Kmunícek J, et al. Among authors: wade rc. Biochemistry. 2001 Jul 31;40(30):8905-17. doi: 10.1021/bi010464p. Biochemistry. 2001. PMID: 11467952

4

Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate.

Pavlova M, Klvana M, Prokop Z, Chaloupkova R, Banas P, Otyepka M, Wade RC, Tsuda M, Nagata Y, Damborsky J. Pavlova M, et al. Among authors: wade rc. Nat Chem Biol. 2009 Oct;5(10):727-33. doi: 10.1038/nchembio.205. Epub 2009 Aug 23. Nat Chem Biol. 2009. PMID: 19701186

5

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. Among authors: wade rc. 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

6

A single mutation in a tunnel to the active site changes the mechanism and kinetics of product release in haloalkane dehalogenase LinB.

Biedermannová L, Prokop Z, Gora A, Chovancová E, Kovács M, Damborsky J, Wade RC. Biedermannová L, et al. Among authors: wade rc. J Biol Chem. 2012 Aug 17;287(34):29062-74. doi: 10.1074/jbc.M112.377853. Epub 2012 Jun 28. J Biol Chem. 2012. PMID: 22745119 Free PMC article.

7

Prediction of drug binding affinities by comparative binding energy analysis.

Ortiz AR, Pisabarro MT, Gago F, Wade RC. Ortiz AR, et al. Among authors: wade rc. J Med Chem. 1995 Jul 7;38(14):2681-91. doi: 10.1021/jm00014a020. J Med Chem. 1995. PMID: 7629807

8

Reliability of comparative molecular field analysis models: effects of data scaling and variable selection using a set of human synovial fluid phospholipase A2 inhibitors.

Ortiz AR, Pastor M, Palomer A, Cruciani G, Gago F, Wade RC. Ortiz AR, et al. Among authors: wade rc. J Med Chem. 1997 Mar 28;40(7):1136-48. doi: 10.1021/jm9601617. J Med Chem. 1997. PMID: 9089335

9

Comparison of the binding and reactivity of plant and mammalian peroxidases to indole derivatives by computational docking.

Hallingbäck HR, Gabdoulline RR, Wade RC. Hallingbäck HR, et al. Among authors: wade rc. Biochemistry. 2006 Mar 7;45(9):2940-50. doi: 10.1021/bi051510e. Biochemistry. 2006. PMID: 16503648

10

Improved binding of cytochrome P450cam substrate analogues designed to fill extra space in the substrate binding pocket.

Helms V, Deprez E, Gill E, Barret C, Hui Bon Hoa G, Wade RC. Helms V, et al. Among authors: wade rc. Biochemistry. 1996 Feb 6;35(5):1485-99. doi: 10.1021/bi951817l. Biochemistry. 1996. PMID: 8634279

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