Detalhe da pesquisa
1.
Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 ß-glucosidase probed by multiple MD and computational approaches.
Proteins
; 91(2): 218-236, 2023 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36114781
2.
Bacterial 2'-Deoxyguanosine Riboswitch Classes as Potential Targets for Antibiotics: A Structure and Dynamics Study.
Int J Mol Sci
; 23(4)2022 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35216040
3.
How does α1Histidine102 affect the binding of modulators to α1ß2γ2 GABAA receptors? molecular insights from in silico experiments.
Phys Chem Chem Phys
; 23(6): 3993-4006, 2021 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33554986
4.
Genomic and structural features of the yellow fever virus from the 2016-2017 Brazilian outbreak.
J Gen Virol
; 99(4): 536-548, 2018 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29469689
5.
Structural insights into leishmanolysins encoded on chromosome 10 of Leishmania (Viannia) braziliensis.
Mem Inst Oswaldo Cruz
; 112(9): 617-625, 2017 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-28902287
6.
Exploring the unbinding of Leishmania (L.) amazonensis CPB derived-epitopes from H2 MHC class I proteins.
Proteins
; 84(4): 473-87, 2016 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-26798994
7.
Boosting Docking-Based Virtual Screening with Deep Learning.
J Chem Inf Model
; 56(12): 2495-2506, 2016 12 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28024405
8.
Gedunin Binds to Myeloid Differentiation Protein 2 and Impairs Lipopolysaccharide-Induced Toll-Like Receptor 4 Signaling in Macrophages.
Mol Pharmacol
; 88(5): 949-61, 2015 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-26330549
9.
Epoxy-α-lapachone has in vitro and in vivo anti-leishmania (Leishmania) amazonensis effects and inhibits serine proteinase activity in this parasite.
Antimicrob Agents Chemother
; 59(4): 1910-8, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25583728
10.
Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors.
Mem Inst Oswaldo Cruz
; 110(7): 847-64, 2015 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-26560977
11.
Megazol and its bioisostere 4H-1,2,4-triazole: comparing the trypanocidal, cytotoxic and genotoxic activities and their in vitro and in silico interactions with the Trypanosoma brucei nitroreductase enzyme.
Mem Inst Oswaldo Cruz
; 109(3): 315-23, 2014 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-24676659
12.
Structural and molecular modeling features of P2X receptors.
Int J Mol Sci
; 15(3): 4531-49, 2014 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-24637936
13.
Toll-like receptor 1 N248S single-nucleotide polymorphism is associated with leprosy risk and regulates immune activation during mycobacterial infection.
J Infect Dis
; 208(1): 120-9, 2013 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-23547143
14.
PACAP key interactions with PAC1, VPAC1, and VPAC2 identified by molecular dynamics simulations.
J Biomol Struct Dyn
; 42(6): 3128-3144, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37216328
15.
RASopathy Cohort of Patients Enrolled in a Brazilian Reference Center for Rare Diseases: A Novel Familial LZTR1 Variant and Recurrent Mutations.
Appl Clin Genet
; 15: 153-170, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36304179
16.
Shared Binding Mode of Perrottetinene and Tetrahydrocannabinol Diastereomers inside the CB1 Receptor May Incentivize Novel Medicinal Drug Design: Findings from an in Silico Assay.
ACS Chem Neurosci
; 11(24): 4289-4300, 2020 12 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33201672
17.
Structural insights into NS5B protein of novel equine hepaciviruses and pegiviruses complexed with polymerase inhibitors.
Virus Res
; 278: 197867, 2020 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31972246
18.
Mycobacterium tuberculosis and M. bovis BCG Moreau Fumarate Reductase Operons Produce Different Polypeptides That May Be Related to Non-canonical Functions.
Front Microbiol
; 11: 624121, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33510737
19.
Predictions suggesting a participation of beta-sheet configuration in the M2 domain of the P2X(7) receptor: a novel conformation?
Biophys J
; 96(3): 951-63, 2009 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-19186133
20.
Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease.
Viruses
; 11(8)2019 07 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31366046