Marcelo D. Polêto
Marcelo D. Polêto
Postdoctoral Associate, Virginia Tech
Verified email at - Homepage
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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
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
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
[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
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 (18), 11-17, 2016
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
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
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
Development of GROMOS-compatible parameter set for simulations of chalcones and flavonoids
PR Arantes, MD Polêto, EBO John, C Pedebos, BI Grisci, M Dorn, ...
The Journal of Physical Chemistry B 123 (5), 994-1008, 2019
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 (11), 2741-2748, 2015
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
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 (2), 162-172, 2020
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
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
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
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
ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectories
MD Polêto, BI Grisci, M Dorn, H Verli
Bioinformatics 36 (11), 3576-3577, 2020
Dynamics of membrane-embedded lipid-linked oligosaccharides for the three domains of life
PR Arantes, C Pedebos, L Pol-Fachin, MD Polêto, H Verli
ChemRxiv. Preprint, 1970
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
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
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