VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface. - Álvaro Cortés Cabrera; Rubén Gil-Redondo; Almudena Perona; Federico Gago; Antonio Morreale (J. Comput. Aided Mol. Des., 2011)

A reverse combination of structure-based and ligand-based strategies for virtual screening. - Álvaro Cortés Cabrera; Federico Gago; Antonio Morreale (J. Comput. Aided Mol. Des., 2012)

AtlasCBS: a web server to map and explore chemico-biological space. - Álvaro Cortés Cabrera; Antonio Morreale; Federico Gago; Celerino Abad-Zapatero (J. Comput. Aided Mol. Des., 2012)

CRDOCK: An Ultrafast Multipurpose Protein-Ligand Docking Tool. - Álvaro Cortés Cabrera; Javier Klett; Helena G. Dos Santos; Almudena Perona; Rubén Gil-Redondo; Sandrea M. Francis; Eva-Maria Priego; Federico Gago; Antonio Morreale (J. Chem. Inf. Model., 2012)

ALFA: Automatic Ligand Flexibility Assignment. - Javier Klett; Álvaro Cortés Cabrera; Rubén Gil-Redondo; Federico Gago; Antonio Morreale (J. Chem. Inf. Model., 2014)

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B. - Pedro A. Sánchez-Murcia; Álvaro Cortés Cabrera; Federico Gago (J. Comput. Aided Mol. Des., 2017)

Optimal water networks in protein cavities with GAsol and 3D-RISM. - Lucia Fusani; Ian D. Wall; David Palmer 002; Álvaro Cortés Cabrera (Bioinform., 2018)

Optimal HTS Fingerprint Definitions by Using a Desirability Function and a Genetic Algorithm. - Álvaro Cortés Cabrera; Paula M. Petrone (J. Chem. Inf. Model., 2018)

Active learning strategies with COMBINE analysis: new tricks for an old dog. - Lucia Fusani; Álvaro Cortés Cabrera (J. Comput. Aided Mol. Des., 2019)

Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule. - Pedro A. Sánchez-Murcia; Alberto Mills; Álvaro Cortés Cabrera; Federico Gago (J. Comput. Aided Mol. Des., 2019)