Detalles de la búsqueda
1.
Getting Deeper into the Molecular Events of Heme Binding Mechanisms: A Comparative Multi-level Computational Study of HasAsm and HasAyp Hemophores.
Inorg Chem
; 61(43): 17068-17079, 2022 Oct 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-36250592
2.
Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction.
Phys Chem Chem Phys
; 23(23): 13042-13054, 2021 Jun 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34100037
3.
Evolutionary alteration of ALOX15 specificity optimizes the biosynthesis of antiinflammatory and proresolving lipoxins.
Proc Natl Acad Sci U S A
; 113(30): E4266-75, 2016 07 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-27412860
4.
Computational insights into active site shaping for substrate specificity and reaction regioselectivity in the EXTL2 retaining glycosyltransferase.
Org Biomol Chem
; 15(43): 9095-9107, 2017 Nov 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-28905966
5.
The importance of ensemble averaging in enzyme kinetics.
Acc Chem Res
; 48(2): 431-8, 2015 Feb 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-25539028
6.
Is Regioselectivity in the Enzyme-Catalyzed Hydroperoxidation of Arachidonic Acid Necessarily Determined by Hydrogen Abstraction? The Case of Rabbit Leu597Ala/Ile663Ala ALOX15 Mutant.
Chemphyschem
; 17(20): 3321-3332, 2016 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-27459330
7.
Computational insight into the catalytic implication of head/tail-first orientation of arachidonic acid in human 5-lipoxygenase: consequences for the positional specificity of oxygenation.
Phys Chem Chem Phys
; 18(33): 23017-35, 2016 Aug 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-27489112
8.
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew Chem Int Ed Engl
; 54(34): 9898-902, 2015 Aug 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-26136334
9.
Role of Arg403 for thermostability and catalytic activity of rabbit 12/15-lipoxygenase.
Biochim Biophys Acta
; 1831(6): 1079-88, 2013 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-23438511
10.
Introducing mutations to modify the C13/C9 ratio in linoleic acid oxygenations catalyzed by rabbit 15-lipoxygenase: a QM/MM and MD study.
Chemphyschem
; 15(18): 4049-54, 2014 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-25186660
11.
Regio- and stereospecificity in the oxygenation of arachidonic acid catalyzed by Leu597 mutants of rabbit 15-lipoxygenase: a QM/MM study.
Chemphyschem
; 15(11): 2303-10, 2014 Aug 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-24753045
12.
A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2.
Org Biomol Chem
; 12(17): 2645-55, 2014 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-24643241
13.
Substrate-assisted and nucleophilically assisted catalysis in bovine α1,3-galactosyltransferase. Mechanistic implications for retaining glycosyltransferases.
J Am Chem Soc
; 135(18): 7053-63, 2013 May 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-23578032
14.
On the regio- and stereospecificity of arachidonic acid peroxidation catalyzed by mammalian 15-lypoxygenases: a combined molecular dynamics and QM/MM study.
Chemphyschem
; 14(16): 3777-87, 2013 Nov 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-24115233
15.
Corrigendum to "Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase" Comput Struct Biotechnol J, 20 (2022), 3899-3910.
Comput Struct Biotechnol J
; 22: 2, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36660143
16.
Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun
; 14(1): 7289, 2023 11 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37963862
17.
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?
Proteins
; 80(3): 703-12, 2012 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-22189720
18.
Retaining glycosyltransferase mechanism studied by QM/MM methods: lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state.
J Am Chem Soc
; 134(10): 4743-52, 2012 Mar 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-22352786
19.
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase.
ACS Catal
; 12(9): 5022-5035, 2022 May 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36567772
20.
Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J
; 20: 3899-3910, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35950185