Performance of density functional models to reproduce observed 13Calpha chemical shifts of proteins in solution. - Jorge A. Vila; Héctor A. Baldoni; Harold A. Scheraga (J. Comput. Chem., 2009)

Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration. - Rodrigo D. Tosso; Sebastian A. Andujar; Lucas Gutierrez; Emilio Angelina; Ricaurte Rodríguez; Manuel Nogueras; Héctor A. Baldoni; Fernando D. Suvire; Justo Cobo; Ricardo D. Enriz (J. Chem. Inf. Model., 2013)

Luminescent Lanthanide Metal Organic Frameworks as Chemosensing Platforms towards Agrochemicals and Cations. - Germán E. Gomez; María dos Santos Afonso; Héctor A. Baldoni; Federico Roncaroli; Galo J. A. A. Soler-Illia (Sensors, 2019)

Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods. - Rodrigo D. Tosso; M. Natalia C. Zarycz; Ayelén Schiel; Luisa Goicoechea Moro; Héctor A. Baldoni; Emilio Angelina; Ricardo D. Enriz (J. Comput. Chem., 2022)