Detalhe da pesquisa
1.
QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates.
Molecules
; 27(17)2022 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36080298
2.
Anti-inflammatory effect and inhibition of nitric oxide production by targeting COXs and iNOS enzymes with the 1,2-diphenylbenzimidazole pharmacophore.
Bioorg Med Chem
; 28(9): 115427, 2020 05 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32205045
3.
Profiling the interaction of 1-phenylbenzimidazoles to cyclooxygenases.
J Mol Recognit
; 32(11): e2801, 2019 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31353677
4.
A new computational model for the prediction of toxicity of phosphonate derivatives using QSPR.
Mol Divers
; 22(2): 269-280, 2018 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-29532429
5.
Solid state structure and solution thermodynamics of three-centered hydrogen bonds (OâââHâââO) using N-(2-benzoyl-phenyl) oxalyl derivatives as model compounds.
Molecules
; 19(9): 14446-60, 2014 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-25221868
6.
Conceptual DFT, machine learning and molecular docking as tools for predicting LD50 toxicity of organothiophosphates.
J Mol Model
; 29(7): 217, 2023 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37380915
7.
Spectroscopic studies and molecular modelling of the aflatoxin M1-bovine α-lactalbumin complex formation.
J Photochem Photobiol B
; 209: 111957, 2020 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-32682284
8.
A theoretical and experimental approach to evaluate zein-calcium interaction in nixtamalization process.
Food Chem
; 297: 124995, 2019 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31253267
9.
Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C-H...A (A = NO2, Npy and π) and orthogonal Npy...NO2 and ONO...Csp2 interactions.
Acta Crystallogr C Struct Chem
; 74(Pt 4): 428-436, 2018 04 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29620026
10.
Insights into the oxygen-based ligand of the low pH component of the Cu(2+)-amyloid-ß complex.
J Phys Chem B
; 118(34): 10052-64, 2014 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25090035
11.
Ethyl N-phenyloxamate.
Acta Crystallogr C
; 59(Pt 10): O541-3, 2003 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-14532664