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The Journal of Physical Chemistry. B|June 19, 2009
Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energiesIgnacio Soteras, Flavio Forti, Modesto Orozco, et al.Current Opinion in Structural Biology|June 24, 2024
Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug designTiziana Ginex, Javier Vázquez, Carolina Estarellas, et al.The Journal of Organic Chemistry|October 2, 2002
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experimentJordi Ribas, Elena Cubero, F Javier Luque, et al.Physical Chemistry Chemical Physics : PCCP|November 30, 2013
The DNA-forming properties of 6-selenoguanineIgnacio Faustino, Carles Curutchet, F Javier Luque, et al.The Journal of Physical Chemistry Letters|February 12, 2019
Development of a Structure-Based, pH-Dependent Lipophilicity Scale of Amino Acids from Continuum Solvation CalculationsWilliam J Zamora, Josep M Campanera, F Javier LuqueJournal of Chemical Theory and Computation|November 28, 2015
Ensemble Docking from Homology ModelsEva Maria Novoa, Lluis Ribas de Pouplana, Xavier Barril, et al.Bioinformatics (Oxford, England)|November 23, 2020
Extended connectivity interaction features: improving binding affinity prediction through chemical descriptionNorberto Sánchez-Cruz, José L Medina-Franco, Jordi Mestres, et al.Plos One|July 9, 2015
In Silico/In Vivo Insights into the Functional and Evolutionary Pathway of Pseudomonas aeruginosa Oleate-Diol Synthase. Discovery of a New Bacterial Di-Heme Cytochrome C Peroxidase SubfamilyMónica Estupiñán, Daniel Álvarez-García, Xavier Barril, et al.Journal of Computational Chemistry|August 20, 2003
Continuum and discrete calculation of fractional contributions to solvation free energyAntonio Morreale, Josep Lluis Gelpí, F Javier Luque, et al.Journal of the American Chemical Society|June 26, 2003
The structure and dynamics of DNA in the gas phaseManuel Rueda, Susana G Kalko, F Javier Luque, et al.Pageof 28