111 related articles for article (PubMed ID: 19891004)
1. Prediction of the enantioselectivity of lipases and esterases by molecular docking method with modified force field parameters.
Ji L; Xiaoling T; Hongwei Y
Biotechnol Bioeng; 2010 Mar; 105(4):687-96. PubMed ID: 19891004
[TBL] [Abstract][Full Text] [Related]
2. Biochemical profiling in silico--predicting substrate specificities of large enzyme families.
Tyagi S; Pleiss J
J Biotechnol; 2006 Jun; 124(1):108-16. PubMed ID: 16519956
[TBL] [Abstract][Full Text] [Related]
3. Control of lipase enantioselectivity by engineering the substrate binding site and access channel.
Lafaquière V; Barbe S; Puech-Guenot S; Guieysse D; Cortés J; Monsan P; Siméon T; André I; Remaud-Siméon M
Chembiochem; 2009 Nov; 10(17):2760-71. PubMed ID: 19816890
[TBL] [Abstract][Full Text] [Related]
4. Predicting substrates by docking high-energy intermediates to enzyme structures.
Hermann JC; Ghanem E; Li Y; Raushel FM; Irwin JJ; Shoichet BK
J Am Chem Soc; 2006 Dec; 128(49):15882-91. PubMed ID: 17147401
[TBL] [Abstract][Full Text] [Related]
5. Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking.
Juhl PB; Trodler P; Tyagi S; Pleiss J
BMC Struct Biol; 2009 Jun; 9():39. PubMed ID: 19493341
[TBL] [Abstract][Full Text] [Related]
6. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
Taylor RD; Jewsbury PJ; Essex JW
J Comput Chem; 2003 Oct; 24(13):1637-56. PubMed ID: 12926007
[TBL] [Abstract][Full Text] [Related]
7. GDSL family of serine esterases/lipases.
Akoh CC; Lee GC; Liaw YC; Huang TH; Shaw JF
Prog Lipid Res; 2004 Nov; 43(6):534-52. PubMed ID: 15522763
[TBL] [Abstract][Full Text] [Related]
8. Physicochemical stereodescriptors of atomic chiral centers.
Zhang QY; Aires-de-Sousa J
J Chem Inf Model; 2006; 46(6):2278-87. PubMed ID: 17125170
[TBL] [Abstract][Full Text] [Related]
9. Improvements of enzyme activity and enantioselectivity via combined substrate engineering and covalent immobilization.
Wang PY; Tsai SW; Chen TL
Biotechnol Bioeng; 2008 Oct; 101(3):460-9. PubMed ID: 18435484
[TBL] [Abstract][Full Text] [Related]
10. Regioselectivity prediction of CYP1A2-mediated phase I metabolism.
Jung J; Kim ND; Kim SY; Choi I; Cho KH; Oh WS; Kim DN; No KT
J Chem Inf Model; 2008 May; 48(5):1074-80. PubMed ID: 18412330
[TBL] [Abstract][Full Text] [Related]
11. Stereoselectivity of Pseudomonas cepacia lipase toward secondary alcohols: a quantitative model.
Schulz T; Pleiss J; Schmid RD
Protein Sci; 2000 Jun; 9(6):1053-62. PubMed ID: 10892799
[TBL] [Abstract][Full Text] [Related]
12. A molecular mechanism of enantiorecognition of tertiary alcohols by carboxylesterases.
Henke E; Bornscheuer UT; Schmid RD; Pleiss J
Chembiochem; 2003 Jun; 4(6):485-93. PubMed ID: 12794858
[TBL] [Abstract][Full Text] [Related]
13. Methods to increase enantioselectivity of lipases and esterases.
Bornscheuer UT
Curr Opin Biotechnol; 2002 Dec; 13(6):543-7. PubMed ID: 12482512
[TBL] [Abstract][Full Text] [Related]
14. Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.
van Lipzig MM; ter Laak AM; Jongejan A; Vermeulen NP; Wamelink M; Geerke D; Meerman JH
J Med Chem; 2004 Feb; 47(4):1018-30. PubMed ID: 14761204
[TBL] [Abstract][Full Text] [Related]
15. Rational automatic search method for stable docking models of protein and ligand.
Mizutani MY; Tomioka N; Itai A
J Mol Biol; 1994 Oct; 243(2):310-26. PubMed ID: 7932757
[TBL] [Abstract][Full Text] [Related]
16. Prediction of HIV-1 integrase/viral DNA interactions in the catalytic domain by fast molecular docking.
Adesokan AA; Roberts VA; Lee KW; Lins RD; Briggs JM
J Med Chem; 2004 Feb; 47(4):821-8. PubMed ID: 14761184
[TBL] [Abstract][Full Text] [Related]
17. Learning from directed evolution: theoretical investigations into cooperative mutations in lipase enantioselectivity.
Bocola M; Otte N; Jaeger KE; Reetz MT; Thiel W
Chembiochem; 2004 Feb; 5(2):214-23. PubMed ID: 14760743
[TBL] [Abstract][Full Text] [Related]
18. Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations.
Park JY; Harris D
J Med Chem; 2003 Apr; 46(9):1645-60. PubMed ID: 12699383
[TBL] [Abstract][Full Text] [Related]
19. Release of short chain fatty acids from cream lipids by commercial lipases and esterases.
Saerens K; Descamps D; Dewettinck K
Biotechnol Lett; 2008 Feb; 30(2):311-5. PubMed ID: 17914608
[TBL] [Abstract][Full Text] [Related]
20. Dissecting the catalytic mechanism of staphylococcal lipases using carbamate substrates: chain length selectivity, interfacial activation, and cofactor dependence.
Simons JW; Boots JW; Kats MP; Slotboom AJ; Egmond MR; Verheij HM
Biochemistry; 1997 Nov; 36(47):14539-50. PubMed ID: 9398172
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
