Detalhe da pesquisa
1.
Autoantibodies against chemokines post-SARS-CoV-2 infection correlate with disease course.
Nat Immunol
; 24(4): 604-611, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36879067
2.
Computational Design of Novel Cyclic Peptides Endowed with Autophagy-Inhibiting Activity on Cancer Cell Lines.
Int J Mol Sci
; 25(9)2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38731842
3.
ETS1 phosphorylation at threonine 38 is associated with the cell of origin of diffuse large B cell lymphoma and sustains the growth of tumour cells.
Br J Haematol
; 203(2): 244-254, 2023 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-37584198
4.
Esmethadone-HCl (REL-1017): a promising rapid antidepressant.
Eur Arch Psychiatry Clin Neurosci
; 273(7): 1463-1476, 2023 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-36890259
5.
Focused Design of Novel Cyclic Peptides Endowed with GABARAP-Inhibiting Activity.
Int J Mol Sci
; 23(9)2022 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35563459
6.
How Computational Chemistry and Drug Delivery Techniques Can Support the Development of New Anticancer Drugs.
Molecules
; 25(7)2020 Apr 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32290224
7.
Structural Biology of STAT3 and Its Implications for Anticancer Therapies Development.
Int J Mol Sci
; 19(6)2018 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29843450
8.
Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-ß-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations.
Biochemistry
; 55(36): 5191-200, 2016 09 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27534275
9.
Structure-based approach for identification of novel phenylboronic acids as serine-ß-lactamase inhibitors.
J Comput Aided Mol Des
; 30(10): 851-861, 2016 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-27632226
10.
Molecular Determinants for Unphosphorylated STAT3 Dimerization Determined by Integrative Modeling.
Biochemistry
; 54(35): 5489-501, 2015 Sep 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-26283080
11.
Molecular Dynamics of Biomolecules through Direct Analysis of Dipolar Couplings.
J Am Chem Soc
; 137(19): 6270-8, 2015 May 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-25895902
12.
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations.
J Chem Inf Model
; 55(10): 2218-26, 2015 Oct 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-26381712
13.
Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics.
J Chem Inf Model
; 55(12): 2528-39, 2015 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26569022
14.
Covalent docking of selected boron-based serine beta-lactamase inhibitors.
J Comput Aided Mol Des
; 29(5): 441-50, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25676821
15.
Inactivation of TEM-1 by avibactam (NXL-104): insights from quantum mechanics/molecular mechanics metadynamics simulations.
Biochemistry
; 53(31): 5174-85, 2014 Aug 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-25050826
16.
Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to Small-molecule regulation of CYP450s activities?
J Chem Inf Model
; 54(10): 2856-68, 2014 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-25178092
17.
Structural and dynamic properties of monoclonal antibodies immobilized on CNTs: a computational study.
Chemistry
; 19(37): 12281-93, 2013 Sep 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-23893827
18.
Structural role of uracil DNA glycosylase for the recognition of uracil in DNA duplexes. Clues from atomistic simulations.
J Chem Inf Model
; 53(6): 1371-87, 2013 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23705837
19.
CEMIP (HYBID, KIAA1199): structure, function and expression in health and disease.
FEBS J
; 290(16): 3946-3962, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35997767
20.
Mechanistic Insights into the Antibiofilm Mode of Action of Ellagic Acid.
Pharmaceutics
; 15(6)2023 Jun 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37376205