Detalhe da pesquisa
1.
Role of Group 12 Metals in the Reduction of H2O2 by Santi's Reagent: A Computational Mechanistic Investigation.
Inorg Chem
; 62(42): 17288-17298, 2023 Oct 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37769326
2.
Diphenyl Diselenide and SARS-CoV-2: in silico Exploration of the Mechanisms of Inhibition of Main Protease (Mpro) and Papain-like Protease (PLpro).
J Chem Inf Model
; 63(7): 2226-2239, 2023 04 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36952618
3.
The Key Role of Chalcogenurane Intermediates in the Reduction Mechanism of Sulfoxides and Selenoxides by Thiols Explored In Silico.
Int J Mol Sci
; 24(9)2023 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37175462
4.
In the Chalcogenoxide Elimination Panorama: Systematic Insight into a Key Reaction.
J Org Chem
; 87(17): 11766-11775, 2022 09 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35951408
5.
Methylmercury Can Facilitate the Formation of Dehydroalanine in Selenoenzymes: Insight from DFT Molecular Modeling.
Chem Res Toxicol
; 34(6): 1655-1663, 2021 06 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34077192
6.
Effect of Methylmercury Binding on the Peroxide-Reducing Potential of Cysteine and Selenocysteine.
Inorg Chem
; 60(7): 4646-4656, 2021 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33587617
7.
Chalcogen-mercury bond formation and disruption in model Rabenstein's reactions: A computational analysis.
J Comput Chem
; 41(23): 2045-2054, 2020 09 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32656797
8.
Navigating through the coordination preferences of heavy alkaline earth metals: Laying the foundations for 223Ra- and 131/135mBa-based targeted alpha therapy and theranostics of cancer.
J Inorg Biochem
; 256: 112569, 2024 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-38701687
9.
Reactivity of zinc fingers in oxidizing environments: insight from molecular models through activation strain analysis.
Chempluschem
; : e202400252, 2024 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-38842473
10.
Radical Scavenging Potential of Ginkgolides and Bilobalide: Insight from Molecular Modeling.
Antioxidants (Basel)
; 12(2)2023 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36830083