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Journal of Computational Chemistry|January 29, 2020
Performance of group additivity methods for predicting the stability of uranyl complexesEnric Petrus, Carles BoJournal 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.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.Journal of Cheminformatics|May 31, 2022
Chemical reaction network knowledge graphs: the OntoRXN ontologyDiego Garay-Ruiz, Carles BoThe Journal of Physical Chemistry. B|December 10, 2016
Simulating the Favorable Aggregation of Monolacunary Keggin AnionsStefano Artin Serapian, Carles BoChemistry (Weinheim an Der Bergstrasse, Germany)|June 2, 2021
Rationalizing the Mechanism of Peroxyformate Decomposition: Computational Insights To Understand Solvent InfluenceDiego Garay-Ruiz, Carles BoJournal of Chemical Theory and Computation|November 24, 2015
A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small MoleculesFlavio Forti, Claudio N Cavasotto, Modesto Orozco, et al.The Journal of Physical Chemistry. B|October 17, 2014
Assessing the suitability of the multilevel strategy for the conformational analysis of small ligandsJordi Juárez-Jiménez, Xavier Barril, Modesto Orozco, et al.Pageof 20