Atomic transferability within the exchange-correlation density. - Xavier Fradera; Miquel Duran; Jordi Mestres (J. Comput. Chem., 2000)

Ligand-induced changes in the binding sites of proteins. - Xavier Fradera; Xavier de la Cruz; Carlos H. Tomich P. Silva; Josep Lluis Gelpí; F. Javier Luque; Modesto Orozco (Bioinform., 2002)

Electron localization and delocalization in open-shell molecules. - Xavier Fradera; Miquel Solà (J. Comput. Chem., 2002)

Unsupervised guided docking of covalently bound ligands. - Xavier Fradera; Jasmit Kaur; Jordi Mestres (J. Comput. Aided Mol. Des., 2004)

Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory. - Xavier Fradera; Miquel Solà (J. Comput. Chem., 2004)

Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. - Xavier Fradera; Andreas Verras; Yuan Hu 002; Deping Wang; Hongwu Wang; James I. Fells; Kira A. Armacost; Alejandro Crespo; Brad Sherborne; Huijun Wang; Zhengwei Peng; Ying-Duo Gao (J. Comput. Aided Mol. Des., 2018)

Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. - Ying-Duo Gao; Yuan Hu 002; Alejandro Crespo; Deping Wang; Kira A. Armacost; James I. Fells; Xavier Fradera; Hongwu Wang; Huijun Wang; Brad Sherborne; Andreas Verras; Zhengwei Peng (J. Comput. Aided Mol. Des., 2018)