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Marcelo D. Polêto
Marcelo D. Polêto
Outros nomesMarcelo D. Poleto
Postdoctoral Associate, Virginia Tech
E-mail confirmado em vt.edu - Página inicial
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Potential Antileukemia Effect and Structural Analyses of SRPK Inhibition by N-(2-(Piperidin-1-yl)-5-(Trifluoromethyl)Phenyl)Isonicotinamide (SRPIN340)
RP Siqueira, ÉAA Barbosa, MD Polêto, GL Righetto, TV Seraphim, ...
PloS one 10 (8), e0134882, 2015
822015
Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulations
NM Fischer, MD Polêto, J Steuer, D van der Spoel
Nucleic acids research 46 (10), 4872-4882, 2018
742018
Aromatic rings commonly used in medicinal chemistry: force fields comparison and interactions with water toward the design of new chemical entities
MD Polêto, VH Rusu, BI Grisci, M Dorn, RD Lins, H Verli
Frontiers in pharmacology 9, 395, 2018
602018
Making it rain: cloud-based molecular simulations for everyone
PR Arantes, MD Polêto, C Pedebos, R Ligabue-Braun
Journal of Chemical Information and Modeling 61 (10), 4852-4856, 2021
572021
Discovery of novel West Nile Virus protease inhibitor based on isobenzonafuranone and triazolic derivatives of eugenol and indan-1, 3-dione scaffolds
AS de Oliveira, PAR Gazolla, AFCS Oliveira, WL Pereira, LC de S. Viol, ...
PLoS One 14 (9), e0223017, 2019
202019
Integration of experimental data and use of automated fitting methods in developing protein force fields
MD Polêto, JA Lemkul
Communications chemistry 5 (1), 38, 2022
172022
[28] Hexaphyrin derivatives for anion recognition in organic and aqueous media
F Figueira, ASF Farinha, PV Muteto, MD Polêto, H Verli, MTSR Gomes, ...
Chemical Communications 52 (10), 2181-2184, 2016
152016
An unusual intramolecular halogen bond guides conformational selection
R Tesch, C Becker, MP Müller, ME Beck, L Quambusch, M Getlik, ...
Angewandte Chemie International Edition 57 (31), 9970-9975, 2018
132018
Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein
RN Lima, M Faheem, JARG Barbosa, MD Polêto, H Verli, FL Melo, ...
BMC bioinformatics 17, 11-17, 2016
132016
Casein-derived peptides with antihypertensive potential: production, identification and assessment of complex formation with angiotensin I-converting enzyme (ACE) through …
TV De Oliveira, MD Polêto, MR De Oliveira, TJ Silva, E Barros, ...
Food Biophysics 15, 162-172, 2020
112020
Role of structural ions on the dynamics of the pseudomonas fluorescens 07a metalloprotease
MD Polêto, MP Alves, R Ligabue-Braun, MR Eller, AF De Carvalho
Food Chemistry, 2019
112019
TUPÃ: Electric field analyses for molecular simulations
MD Polêto, JA Lemkul
Journal of computational chemistry 43 (16), 1113-1119, 2022
102022
Evaluation of a synthetic peptide from the Taenia saginata 18 kDa surface/secreted oncospheral adhesion protein for serological diagnosis of bovine cysticercosis
RPM Guimarães-Peixoto, PSA Pinto, MR Santos, MD Polêto, LF Silva, ...
Acta Tropica 164, 463-468, 2016
102016
A porcine circovirus-2 mutant isolated in Brazil contains low-frequency substitutions in regions of immunoprotective epitopes in the capsid protein
RL Salgado, PMP Vidigal, NF Gonzaga, LFL de Souza, MD Polêto, ...
Archives of virology 160, 2741-2748, 2015
102015
ENTPDases from pathogenic trypanosomatids and purinergic signaling: shedding light towards biotechnological applications
W da Silva, N da Rocha Torres, J de Melo Agripino, VHF da Silva, ...
Current Topics in Medicinal Chemistry 21 (3), 213-226, 2021
92021
Development of GROMOS-compatible parameter set for simulations of chalcones and flavonoids
PR Arantes, MD Poleto, EBO John, C Pedebos, BI Grisci, M Dorn, H Verli
The Journal of Physical Chemistry B 123 (5), 994-1008, 2019
92019
Impacts of Ca2+ cation and temperature on bovine α-lactalbumin secondary structures and foamability–Insights from computational molecular dynamics
TV De Oliveira, MD Polêto, SV Barbosa, JS dos Reis Coimbra, ...
Food Chemistry 367, 130733, 2022
82022
Structural and molecular bases of angiotensin-converting enzyme inhibition by bovine casein-derived peptides: an in silico molecular dynamics approach
TV De Oliveira, AP Guimarães, GC Bressan, ER Maia, JSR Coimbra, ...
Journal of Biomolecular Structure and Dynamics 39 (4), 1386-1403, 2021
72021
ESI‐MS/MS of expanded porphyrins: a look into their structure and aromaticity
CIV Ramos, F Figueira, MD Polêto, FML Amado, H Verli, JPC Tomé, ...
Journal of Mass Spectrometry 51 (5), 342-349, 2016
72016
The lazy life of lipid-linked oligosaccharides in all life domains
PR Arantes, C Pedebos, MD Polêto, L Pol-Fachin, H Verli
Journal of chemical information and modeling 60 (2), 631-643, 2019
62019
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Artigos 1–20