María J. R. Yunta

It Is Important to Compute Intramolecular Hydrogen Bonding in Drug Design?

María J. R. Yunta · American Journal of Modeling and Optimization · 2017 · 109 citations · Full text

Ligand-protein Complexes, Intramolecular Hydrogen Bonding, Biochemistry +13

New 1<i>H</i>-Pyrazole-Containing Polyamine Receptors Able To Complex <scp>l</scp>-Glutamate in Water at Physiological pH Values

Carlos Eduardo Saraiva Miranda, Francisco Escartı́, Laurent Lamarque et al. · Journal of the American Chemical Society · 2003 · 96 citations

In vitro leishmanicidal activity of imidazole- or pyrazole-based benzo[g]phthalazine derivatives against Leishmania infantum and Leishmania braziliensis species

Manuel Sánchez‐Moreno, Fernando Gómez-Contreras, Pilar Navarro et al. · Journal of Antimicrobial Chemotherapy · 2011 · 75 citations · Full text

Docking and Ligand Binding Affinity: Uses and Pitfalls

María J. R. Yunta · American Journal of Modeling and Optimization · 2016 · 64 citations · Full text

Virtual Screening, Ligand Binding Affinity, Review Article +15

Estimation of marcus λ for <i>p</i>‐phenylenediamines from the optical spectrum of a dimeric derivative

Stephen F. Nelsen, María J. R. Yunta · Journal of Physical Organic Chemistry · 1994 · 57 citations

Optical Materials, Engineering, Marcus λ +23