Detalhe da pesquisa
1.
Identification of lectin receptors for conserved SARS-CoV-2 glycosylation sites.
EMBO J
; 40(19): e108375, 2021 10 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34375000
2.
Molecular cloning, characterisation and molecular modelling of two novel T-synthases from mollusc origin.
Glycobiology
; 34(4)2024 Apr 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-38366999
3.
Engineering A-type Dye-Decolorizing Peroxidases by Modification of a Conserved Glutamate Residue.
Chembiochem
; 25(9): e202300872, 2024 May 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38376941
4.
Understanding the riddle of amine oxidase flavoenzyme reactivity on the stereoisomers of N-methyl-dopa and N-methyl-tyrosine.
J Mol Recognit
; 37(2): e3068, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37968575
5.
The Effect of Microwaves on Protein Structure: Molecular Dynamics Approach.
J Chem Inf Model
; 64(6): 2077-2083, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38477115
6.
Amino Acid Residues Controlling Domain Interaction and Interdomain Electron Transfer in Cellobiose Dehydrogenase.
Chembiochem
; 24(22): e202300431, 2023 11 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37768852
7.
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom.
J Chem Inf Model
; 63(1): 197-207, 2023 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36512416
8.
Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine Graphene.
J Chem Inf Model
; 63(21): 6642-6654, 2023 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37909535
9.
Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from Penaeus monodon: An In Silico Study through MD Simulations.
J Chem Inf Model
; 63(8): 2495-2504, 2023 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37026789
10.
Identification of Activating Mutations in the Transmembrane and Extracellular Domains of EGFR.
Biochemistry
; 61(19): 2049-2062, 2022 10 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36148499
11.
PROFICS: A bacterial selection system for directed evolution of proteases.
J Biol Chem
; 297(4): 101095, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34418435
12.
On the effects of induced polarizability at the water-graphene interface via classical charge-on-spring models.
Phys Chem Chem Phys
; 24(13): 7748-7758, 2022 Mar 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35294507
13.
Reaction intermediate rotation during the decarboxylation of coproheme to heme b in C. diphtheriae.
Biophys J
; 120(17): 3600-3614, 2021 09 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34339636
14.
Exploring the structure and dynamics of proteins in soil organic matter.
Proteins
; 2021 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33675059
15.
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins.
J Comput Chem
; 42(18): 1263-1282, 2021 07 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33951201
16.
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues.
Chemphyschem
; 22(3): 264-282, 2021 02 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33377305
17.
Fighting Against Bacterial Lipopolysaccharide-Caused Infections through Molecular Dynamics Simulations: A Review.
J Chem Inf Model
; 61(10): 4839-4851, 2021 10 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-34559524
18.
Efficient In Silico Saturation Mutagenesis of a Member of the Caspase Protease Family.
J Chem Inf Model
; 61(3): 1193-1203, 2021 03 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33570387
19.
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2.
J Comput Aided Mol Des
; 35(10): 1067-1079, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34617191
20.
On glyphosate-kaolinite surface interactions. A molecular dynamic study.
Eur J Soil Sci
; 72(3): 1231-1242, 2021 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-34220276