Marcelo D. Polêto

Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulations

Nina Fischer, Marcelo D. Polêto, Jakob Steuer et al. · Nucleic Acids Research · 2018 · 123 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

Potential Antileukemia Effect and Structural Analyses of SRPK Inhibition by N-(2-(Piperidin-1-yl)-5-(Trifluoromethyl)Phenyl)Isonicotinamide (SRPIN340)

Raoni Pais Siqueira, Éverton de Almeida Alves Barbosa, Marcelo D. Polêto et al. · PLoS ONE · 2015 · 84 citations · Full text

Medicine, Oncology, Pharmacology +13

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

Marcelo D. Polêto, Victor H. Rusu, Bruno Iochins Grisci et al. · Frontiers in Pharmacology · 2018 · 61 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

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

Marcelo D. Polêto, Justin A. Lemkul · Communications Chemistry · 2022 · 35 citations · Full text

Natural Sciences, Biophysics, Biomolecular Modeling +16

<scp>TUPÃ</scp>: Electric field analyses for molecular simulations

Marcelo D. Polêto, Justin A. Lemkul · Journal of Computational Chemistry · 2022 · 34 citations · Full text

Natural Sciences, Biophysics, Chemistry +17