Making it Rain: Cloud-Based Molecular Simulations for Everyone
Arantes, Pablo R, Polêto, Marcelo D, Pedebos, Conrado, Ligabue-Braun, Rodrigo
Published in Journal of chemical information and modeling (25.10.2021)
Published in Journal of chemical information and modeling (25.10.2021)
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Journal Article
Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulations
Fischer, Nina M, Polêto, Marcelo D, Steuer, Jakob, van der Spoel, David
Published in Nucleic acids research (01.06.2018)
Published in Nucleic acids research (01.06.2018)
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Journal Article
The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains
Arantes, Pablo R, Pedebos, Conrado, Polêto, Marcelo D, Pol-Fachin, Laércio, Verli, Hugo
Published in Journal of chemical information and modeling (24.02.2020)
Published in Journal of chemical information and modeling (24.02.2020)
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Journal Article
Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities
Polêto, Marcelo D, Rusu, Victor H, Grisci, Bruno I, Dorn, Marcio, Lins, Roberto D, Verli, Hugo
Published in Frontiers in pharmacology (24.04.2018)
Published in Frontiers in pharmacology (24.04.2018)
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Journal Article
Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids
Arantes, Pablo R, Polêto, Marcelo D, John, Elisa B. O, Pedebos, Conrado, Grisci, Bruno I, Dorn, Marcio, Verli, Hugo
Published in The journal of physical chemistry. B (07.02.2019)
Published in The journal of physical chemistry. B (07.02.2019)
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Journal Article
An Unusual Intramolecular Halogen Bond Guides Conformational Selection
Tesch, Roberta, Becker, Christian, Müller, Matthias Philipp, Beck, Michael Edmund, Quambusch, Lena, Getlik, Matthäus, Lategahn, Jonas, Uhlenbrock, Niklas, Costa, Fanny Nascimento, Polêto, Marcelo D., Pinheiro, Pedro de Sena Murteira, Rodrigues, Daniel Alencar, Sant'Anna, Carlos Mauricio R., Ferreira, Fabio Furlan, Verli, Hugo, Fraga, Carlos Alberto Manssour, Rauh, Daniel
Published in Angewandte Chemie International Edition (26.07.2018)
Published in Angewandte Chemie International Edition (26.07.2018)
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Journal Article
Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations
Rusu, Victor H, Santos, Denys E. S, Poleto, Marcelo D, Galheigo, Marcelo M, Gomes, Antônio T. A, Verli, Hugo, Soares, Thereza A, Lins, Roberto D
Published in Journal of chemical information and modeling (28.12.2020)
Published in Journal of chemical information and modeling (28.12.2020)
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Journal Article
Monomeric and dimeric states of human ZO1-PDZ2 are functional partners of the SARS-CoV-2 E protein
Giacon, Noah, Lo Cascio, Ettore, Davidson, Darcy S., Polêto, Marcelo D., Lemkul, Justin A., Pennacchietti, Valeria, Pagano, Livia, Zamparelli, Carlotta, Toto, Angelo, Arcovito, Alessandro
Published in Computational and structural biotechnology journal (01.01.2023)
Published in Computational and structural biotechnology journal (01.01.2023)
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Journal Article
Discovery of novel West Nile Virus protease inhibitor based on isobenzonafuranone and triazolic derivatives of eugenol and indan-1,3-dione scaffolds
de Oliveira, André S, Gazolla, Poliana A R, Oliveira, Ana Flávia C da S, Pereira, Wagner L, de S Viol, Lívia C, Maia, Angélica F da S, Santos, Edjon G, da Silva, Ítalo E P, Mendes, Tiago A de Oliveira, da Silva, Adalberto M, Dias, Roberto S, da Silva, Cynthia C, Polêto, Marcelo D, Teixeira, Róbson R, de Paula, Sergio O
Published in PloS one (26.09.2019)
Published in PloS one (26.09.2019)
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Journal Article
[28]Hexaphyrin derivatives for anion recognition in organic and aqueous media
Figueira, Flavio, Farinha, Andreia S. F., Muteto, Paulino V., Poleto, Marcelo D., Verli, Hugo, Gomes, M. Teresa S. R., Tome, Augusto C., Cavaleiro, Jose A. S., Tome, Joao P. C.
Published in Chemical communications (Cambridge, England) (01.01.2016)
Published in Chemical communications (Cambridge, England) (01.01.2016)
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Journal Article
porcine circovirus-2 mutant isolated in Brazil contains low-frequency substitutions in regions of immunoprotective epitopes in the capsid protein
Salgado, Rafael Locatelli, Vidigal, Pedro Marcus Pereira, Gonzaga, Natalia F, de Souza, Luiz F. L, Polêto, Marcelo D, Onofre, Thiago Souza, Eller, Monique R, Pereira, Carlos Eduardo Real, Fietto, Juliana L. R, Bressan, Gustavo C, Guedes, Roberto M. C, Almeida, Márcia R, Silva Júnior, Abelardo
Published in Archives of virology (01.11.2015)
Published in Archives of virology (01.11.2015)
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