Reassessment of methyl rotation barriers and conformations by correlated quantum chemistry methods. - Alberto Del Rio 001; Abdou Boucekkine; Jean Meinnel (J. Comput. Chem., 2003)

A computational workflow for the design of irreversible inhibitors of protein kinases. - Alberto Del Rio 001; Miriam Sgobba; Marco Daniele Parenti; Gianluca Degliesposti; Rosetta Forestiero; Claudia Percivalle; Pier Franco Conte; Mauro Freccero; Giulio Rastelli (J. Comput. Aided Mol. Des., 2010)

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA. - Giulio Rastelli; Alberto Del Rio 001; Gianluca Degliesposti; Miriam Sgobba (J. Comput. Chem., 2010)

Use of large multiconformational databases with structure-based pharmacophore models for fast screening of commercial compound collections. - Alberto Del Rio 001; Arménio Jorge Moura Barbosa; Fabiana Caporuscio (J. Cheminformatics, 2011)

Comparative Analysis of Pharmacophore Screening Tools. - Marijn P. A. Sanders; Arménio Jorge Moura Barbosa; Barbara Zarzycka; Gerry A. F. Nicolaes; Jan P. G. Klomp; Jacob de Vlieg; Alberto Del Rio 001 (J. Chem. Inf. Model., 2012)