Detalhe da pesquisa
1.
Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic.
J Chem Inf Model
; 62(10): 2510-2521, 2022 05 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35549216
2.
Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase.
Proc Natl Acad Sci U S A
; 114(24): E4724-E4733, 2017 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-28559343
3.
Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins.
Biol Chem
; 400(5): 575-587, 2019 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30367780
4.
The Catalytic Mechanism of Human Transketolase.
Chemphyschem
; 20(21): 2881-2886, 2019 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31489766
5.
Improving the Catalytic Power of the DszD Enzyme for the Biodesulfurization of Crude Oil and Derivatives.
Chemistry
; 23(68): 17231-17241, 2017 Dec 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28976031
6.
The Catalytic Mechanism of the Pyridoxal-5'-phosphate-Dependent Enzyme, Histidine Decarboxylase: A Computational Study.
Chemistry
; 23(38): 9162-9173, 2017 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28613002
7.
Periplasmic nitrate reductase and formate dehydrogenase: similar molecular architectures with very different enzymatic activities.
Acc Chem Res
; 48(11): 2875-84, 2015 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-26509703
8.
Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas.
J Comput Aided Mol Des
; 30(11): 1079-1086, 2016 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-27585473
9.
Improving the Biodesulfurization of Crude Oil and Derivatives: A QM/MM Investigation of the Catalytic Mechanism of NADH-FMN Oxidoreductase (DszD).
J Phys Chem A
; 120(27): 5300-6, 2016 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27128525
10.
Insights into the structural determinants of substrate specificity and activity in mouse aldehyde oxidases.
J Biol Inorg Chem
; 20(2): 209-17, 2015 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-25287365
11.
PLP undergoes conformational changes during the course of an enzymatic reaction.
Acta Crystallogr D Biol Crystallogr
; 70(Pt 2): 596-606, 2014 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-24531493
12.
Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli.
Acta Crystallogr D Biol Crystallogr
; 70(Pt 5): 1297-310, 2014 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-24816099
13.
AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins.
J Chem Inf Model
; 54(8): 2371-9, 2014 Aug 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-24931227
14.
Isomerization of Δ5-androstene-3,17-dione into Δ4-androstene-3,17-dione catalyzed by human glutathione transferase A3-3: a computational study identifies a dual role for glutathione.
J Phys Chem A
; 118(31): 5790-800, 2014 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24739064
15.
Mining and engineering activity in catalytic amyloids.
Methods Enzymol
; 697: 345-422, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38816129
16.
Bacillus pumilus cellulitis with bacteremia in a person who injects drugs, living with HIV-HCV co-infection: a case report.
Access Microbiol
; 6(2): 000398, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38482346
17.
What's new about the tumor microenvironment of urothelial carcinoma?
Clin Transl Oncol
; 2024 Feb 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38332225
18.
Beta-Adrenergic Blockade in Advanced Non-Small Cell Lung Cancer Patients Receiving Immunotherapy: A Multicentric Study.
Cureus
; 16(1): e52194, 2024 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-38348009
19.
Mechanism of glutathione transferase P1-1-catalyzed activation of the prodrug canfosfamide (TLK286, TELCYTA).
Biochemistry
; 52(45): 8069-78, 2013 Nov 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-24066958
20.
The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity.
J Biol Chem
; 287(48): 40690-702, 2012 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-23019336