Fernanda Duarte

Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine

Kiran Kumar, Shin M. Woo, T.K. Siu et al. · Chemical Science · 2018 · 260 citations · Full text

Synthesis of meta-substituted arene bioisosteres from [3.1.1]propellane

Nils Frank, Jeremy Nugent, Bethany R. Shire et al. · Nature · 2022 · 207 citations · Full text

Bioorganic Chemistry, Natural Sciences, Organic Chemistry +5

A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis

Jeremy Nugent, Carlos Arróniz, Bethany R. Shire et al. · ACS Catalysis · 2019 · 178 citations · Full text

Photoredox Catalysis, Engineering, Heterocyclic +10

Force Field Independent Metal Parameters Using a Nonbonded Dummy Model

Fernanda Duarte, Paul Bauer, Alexandre Barrozo et al. · The Journal of Physical Chemistry B · 2014 · 169 citations · Full text

Rationalizing the Activity of an “Artificial Diels-Alderase”: Establishing Efficient and Accurate Protocols for Calculating Supramolecular Catalysis

Tom A. Young, Vicente Martí‐Centelles, Jianzhu Wang et al. · Journal of the American Chemical Society · 2019 · 117 citations · Full text