Ignacio Soteras

Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions

Ignacio Soteras, Fang-Yu Lin, Kenno Vanommeslaeghe et al. · Bioorganic & Medicinal Chemistry · 2016 · 284 citations · Full text

Engineering, Improved Treatment, Medicine +8

Exploring the Binding Sites of Glycogen Synthase Kinase 3. Identification and Characterization of Allosteric Modulation Cavities

Valle Palomo, Ignacio Soteras, Daniel I. Pérez et al. · Journal of Medicinal Chemistry · 2011 · 103 citations · Full text

Drug Target, Molecular Regulation, Allosteric Kinase Modulators +23

Continuum solvation models: Dissecting the free energy of solvation

F. Javier Luque, Carles Curutchet, J. A. Muñoz et al. · Physical Chemistry Chemical Physics · 2003 · 99 citations

Free Energy, Continuum Solvation Models, Engineering +11

Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations

Ignacio Soteras, Carles Curutchet, Axel Bidon‐Chanal et al. · Journal of Molecular Structure THEOCHEM · 2005 · 96 citations

Mst Model, Engineering, Physics +7

Induction effects in metal cation–benzene complexes

Ignacio Soteras, Modesto Orozco, F. Javier Luque · Physical Chemistry Chemical Physics · 2008 · 89 citations

Induction Effects, Induction Term, Engineering +16