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Nature Communications|September 10, 2024
Comprehensive detection and characterization of human druggable pockets through binding site descriptorsArnau Comajuncosa-Creus, Guillem Jorba, Xavier Barril, et al.Pharmaceutical Patent Analyst|November 19, 2013
Pharmacological chaperones for enzyme enhancement therapy in genetic diseasesJuan Aymami, Xavier Barril, Laura Rodríguez-Pascau, et al.Journal of the American Chemical Society|October 11, 2011
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug designPeter Schmidtke, F Javier Luque, James B Murray, et al.Biochimica Et Biophysica Acta|May 4, 2016
Inherent conformational flexibility of F1-ATPase α-subunitOtto Hahn-Herrera, Guillermo Salcedo, Xavier Barril, et al.Bioinformatics (Oxford, England)|October 5, 2011
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectoriesPeter Schmidtke, Axel Bidon-Chanal, F Javier Luque, et al.Journal of Chemical Theory and Computation|November 28, 2015
Ensemble Docking from Homology ModelsEva Maria Novoa, Lluis Ribas de Pouplana, Xavier Barril, et al.Journal of Computer-Aided Molecular Design|September 17, 2004
Validation of an empirical RNA-ligand scoring function for fast flexible docking using RibodockS David Morley, Mohammad AfsharBioinformatics (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.Proteins|November 11, 2011
Allosteric regulation of PKCθ: understanding multistep phosphorylation and priming by ligands in AGC kinasesJesus Seco, Carles Ferrer-Costa, Josep M Campanera, et al.Pageof 8