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

Tekijä Fischer, Nina M, Polêto, Marcelo D, Steuer, Jakob, van der Spoel, David
Julkaisussa Nucleic Acids Res (2018)

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

Tekijä Polêto, Marcelo D., Rusu, Victor H., Grisci, Bruno I., Dorn, Marcio, Lins, Roberto D., Verli, Hugo
Julkaisussa Front Pharmacol (2018)

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

Tekijä 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.
Julkaisussa PLoS One (2019)