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Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits.

J. Vázquez, T. Ginex, A. Herrero, C. Morisseau, B. Hammock, and F. Luque. J. Chem. Inf. Model., 63 (10): 3209-3225 (May 2023)

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F Javier Mendizabal Mugica

Alejandro Luque Estepa

Javier Dreyer

Javier Manero

Javier Jáurequi

Other publications of authors with the same name

Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations.W. Zamora, S. Pinheiro, K. German, C. Pérez-Ràfols, C. Curutchet, and F. Luque. J. Comput. Aided Mol. Des., 34 (4): 443-451 (2020)Molecular simulation methods in drug discovery: a prospective outlook.X. Barril, and F. Luque. J. Comput. Aided Mol. Des., 26 (1): 81-86 (2012)Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields.M. Zgarbová, A. Rosnik, F. Luque, C. Curutchet, and P. Jurecka. J. Comput. Chem., 36 (25): 1874-1884 (2015)Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits.J. Vázquez, T. Ginex, A. Herrero, C. Morisseau, B. Hammock, and F. Luque. J. Chem. Inf. Model., 63 (10): 3209-3225 (May 2023)Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen.J. Vázquez, A. Deplano, A. Herrero, T. Ginex, E. Gibert, O. Rabal, J. Oyarzabal, E. Herrero, and F. Luque. J. Chem. Inf. Model., 58 (8): 1596-1609 (2018)Ligand-induced changes in the binding sites of proteins.X. Fradera, X. de la Cruz, C. Silva, J. Gelpí, F. Luque, and M. Orozco. Bioinform., 18 (7): 939-948 (2002)Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations.V. Bonatto, A. Shamim, F. dos R. Rocho, A. Leitão, F. Luque, J. Lameira, and C. Montanari. J. Chem. Inf. Model., 61 (9): 4733-4744 (2021)Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR.T. Ginex, J. Muñoz-Muriedas, E. Herrero, E. Gibert, P. Cozzini, and F. Luque. J. Comput. Chem., 37 (13): 1147-1162 (2016)Molecular Dynamics Study of Oligonucleotides Containing DifluorotolueneE. Cubero, C. Laughton, J. Luque, and M. Orozco. Journal of the American Chemical Society, 122 (29): 6891--6899 (July 2000)Continuum and discrete calculation of fractional contributions to solvation free energy.A. Morreale, J. Gelpí, F. Luque, and M. Orozco. J. Comput. Chem., 24 (13): 1610-1623 (2003)

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Disambiguation of "Luque, F. Javier"