Detalhe da pesquisa
1.
FT-MIR-ATR Associated with Chemometrics Methods: A Preliminary Analysis of Deterioration State of Brazil Nut Oil.
Molecules
; 28(19)2023 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37836721
2.
Caffeic Acid-Zinc Basic Salt/Chitosan Nanohybrid Possesses Controlled Release Properties and Exhibits In Vivo Anti-Inflammatory Activities.
Molecules
; 28(13)2023 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37446635
3.
Computational Analysis of Triazole-Based Kojic Acid Analogs as Tyrosinase Inhibitors by Molecular Dynamics and Free Energy Calculations.
Molecules
; 27(23)2022 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36500237
4.
Host-Guest Inclusion Complexes of Natural Products and Nanosystems: Applications in the Development of Repellents.
Molecules
; 27(8)2022 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35458718
5.
Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding.
Proteins
; 89(10): 1340-1352, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34075621
6.
Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach.
Int J Mol Sci
; 23(1)2021 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35008724
7.
Evaluating the Performance of a Non-Bonded Cu2+ Model Including Jahn-Teller Effect into the Binding of Tyrosinase Inhibitors.
Int J Mol Sci
; 21(13)2020 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32640730
8.
Computational Investigation of Bisphosphate Inhibitors of 3-Deoxy-d-manno-octulosonate 8-phosphate Synthase.
Molecules
; 24(13)2019 Jun 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-31252580
9.
Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob Agents Chemother
; 61(10)2017 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28760902
10.
Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study.
J Biomed Sci
; 22: 15, 2015 Feb 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-25889635
11.
Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study.
Phys Chem Chem Phys
; 17(27): 17790-6, 2015 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26087682
12.
Catalytic mechanism of L,D-transpeptidase 2 from Mycobacterium tuberculosis described by a computational approach: insights for the design of new antibiotics drugs.
J Chem Inf Model
; 54(9): 2402-10, 2014 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-25149147
13.
Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruzi.
Phys Chem Chem Phys
; 15(43): 18863-71, 2013 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24084894
14.
The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach.
Phys Chem Chem Phys
; 15(11): 3772-85, 2013 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-23389436
15.
Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors.
J Enzyme Inhib Med Chem
; 28(1): 78-88, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-22339087
16.
Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives.
J Chem Inf Model
; 52(10): 2775-83, 2012 Oct 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-22937904
17.
Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants.
Sci Rep
; 12(1): 8540, 2022 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35595778
18.
Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D.
RSC Adv
; 13(1): 602-614, 2022 Dec 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36605626
19.
Assessment of host-guest molecular encapsulation of eugenol using ß-cyclodextrin.
Front Chem
; 10: 1061624, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36700078
20.
A molecular model to study FosA enzyme inhibition.
J Mol Graph Model
; 107: 107978, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34217024