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Expert Opinion on Therapeutic Patents|October 5, 2020
Searching for effective antiviral small molecules against influenza A virus: A patent reviewTiziana Ginex, F Javier LuqueJournal of Computer-Aided Molecular Design|January 19, 2021
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challengeDylan Serillon, Carles Bo, Xavier BarrilMethods in Molecular Biology (Clifton, N.J.)|July 25, 2018
Dynamic Undocking: A Novel Method for Structure-Based Drug DiscoveryMaciej Majewski, Sergio Ruiz-Carmona, Xavier BarrilAccounts of Chemical Research|February 9, 2024
Acetylcholinesterase: A Versatile Template to Coin Potent Modulators of Multiple Therapeutic TargetsF Javier Luque, Diego Muñoz-TorreroCurrent Opinion in Pharmacology|July 25, 2018
Predicting how drug molecules bind to their protein targetsMoira M Rachman, Xavier Barril, Roderick E HubbardDrug Discovery Today. Technologies|December 17, 2021
Fragment-to-lead tailored in silico designMoira Rachman, Serena Piticchio, Maciej Majewski, et al.Accounts of Chemical Research|August 12, 2011
Frontiers in molecular dynamics simulations of DNAAlberto Pérez, F Javier Luque, Modesto OrozcoPlant Science : an International Journal of Experimental Plant Biology|May 24, 2011
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities?Francesca Spyrakis, F Javier Luque, Cristiano ViappianiJournal of Computer-Aided Molecular Design|March 20, 2010
Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energiesIgnacio Soteras, Modesto Orozco, F Javier LuqueJournal of the American Chemical Society|November 8, 2007
Dynamics of B-DNA on the microsecond time scaleAlberto Pérez, F Javier Luque, Modesto OrozcoPageof 28