Federico Gago

Publication Activity (10 Years)

Years Active: 1997-2021
Publications (10 Years): 6

Top Topics

Web Server Logs

Computational Chemistry

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Alberto Mills, Federico Gago
Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin. J. Comput. Aided Mol. Des. 35 (6) (2021)
Almudena Perona, M. Piedad Ros, Alberto Mills, Antonio Morreale, Federico Gago
. J. Comput. Aided Mol. Des. 34 (10) (2020)
Alberto Mills, Federico Gago
Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts. J. Comput. Aided Mol. Des. 34 (3) (2020)
Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch
How computational chemistry develops: a tribute to Peter Goodford. J. Comput. Aided Mol. Des. 33 (8) (2019)
Pedro A. Sánchez-Murcia, Alberto Mills, Álvaro Cortés Cabrera, Federico Gago
Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule. J. Comput. Aided Mol. Des. 33 (7) (2019)
Pedro A. Sánchez-Murcia, Álvaro Cortés Cabrera, Federico Gago
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. J. Comput. Aided Mol. Des. 31 (10) (2017)
Javier Klett, Álvaro Cortés Cabrera, Rubén Gil-Redondo, Federico Gago, Antonio Morreale
ALFA: Automatic Ligand Flexibility Assignment. J. Chem. Inf. Model. 54 (1) (2014)
Álvaro Cortés Cabrera, Antonio Morreale, Federico Gago, Celerino Abad-Zapatero
AtlasCBS: a web server to map and explore chemico-biological space. J. Comput. Aided Mol. Des. 26 (9) (2012)
Álvaro Cortés Cabrera, Federico Gago, Antonio Morreale
A reverse combination of structure-based and ligand-based strategies for virtual screening. J. Comput. Aided Mol. Des. 26 (3) (2012)
Álvaro Cortés Cabrera, Javier Klett, Helena G. Dos Santos, Almudena Perona, Rubén Gil-Redondo, Sandrea M. Francis, Eva-Maria Priego, Federico Gago, Antonio Morreale
CRDOCK: An Ultrafast Multipurpose Protein-Ligand Docking Tool. J. Chem. Inf. Model. 52 (8) (2012)
Federico Gago
Reflections on the past 25 years. J. Comput. Aided Mol. Des. 26 (1) (2012)
Álvaro Cortés Cabrera, Rubén Gil-Redondo, Almudena Perona, Federico Gago, Antonio Morreale
VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface. J. Comput. Aided Mol. Des. 25 (9) (2011)
Jan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský
Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations. J. Comput. Aided Mol. Des. 17 (5-6) (2003)
Ferran Sanz, Federico Gago
Current perspective of information technologies in drug discovery. J. Comput. Aided Mol. Des. 16 (11) (2002)
Raquel García-Nieto, Carlos Pérez, Federico Gago
Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2). J. Comput. Aided Mol. Des. 14 (2) (2000)
Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz
3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands. J. Comput. Aided Mol. Des. 14 (4) (2000)
José Gallego, Angel R. Ortiz, Beatriz de Pascual-Teresa, Federico Gago
Structure-affinity relationships for the binding of actinomycin D to DNA. J. Comput. Aided Mol. Des. 11 (2) (1997)