Differences in Conformational Sampling and Intrinsic Electric Fields Drive Ion Binding in Telomeric and TERRA G-Quadruplexes

por Polêto, Marcelo D., Lemkul, Justin A.
Publicado 2023

Integration of experimental data and use of automated fitting methods in developing protein force fields

por Polêto, Marcelo D., Lemkul, Justin A.
Publicado 2022

Influence of Na(+) and Mg(2+) ions on RNA structures studied with molecular dynamics simulations

por Fischer, Nina M, Polêto, Marcelo D, Steuer, Jakob, van der Spoel, David
Publicado 2018

Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities

por Polêto, Marcelo D., Rusu, Victor H., Grisci, Bruno I., Dorn, Marcio, Lins, Roberto D., Verli, Hugo
Publicado 2018

Monomeric and dimeric states of human ZO1-PDZ2 are functional partners of the SARS-CoV-2 E protein

por Giacon, Noah, Lo Cascio, Ettore, Davidson, Darcy S., Polêto, Marcelo D., Lemkul, Justin A., Pennacchietti, Valeria, Pagano, Livia, Zamparelli, Carlotta, Toto, Angelo, Arcovito, Alessandro
Publicado 2023

Discovery of novel West Nile Virus protease inhibitor based on isobenzonafuranone and triazolic derivatives of eugenol and indan-1,3-dione scaffolds

por 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.
Publicado 2019