Federico Gago

17 papers Journal 17
YearRankTypeTitle / Venue / Authors
2021 J jnl
Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin.
J. Comput. Aided Mol. Des.
Alberto Mills, Federico Gago
2020 J jnl
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.
Alberto Mills, Federico Gago
2020 J jnl
Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H
J. Comput. Aided Mol. Des.
Almudena Perona, M. Piedad Ros, Alberto Mills, Antonio Morreale, Federico Gago
2019 J jnl
How computational chemistry develops: a tribute to Peter Goodford.
J. Comput. Aided Mol. Des.
Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch
2019 J jnl
Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule.
J. Comput. Aided Mol. Des.
Pedro A. Sánchez-Murcia, Alberto Mills, Álvaro Cortés Cabrera, Federico Gago
2017 J jnl
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.
Pedro A. Sánchez-Murcia, Álvaro Cortés Cabrera, Federico Gago
2014 J jnl
ALFA: Automatic Ligand Flexibility Assignment.
J. Chem. Inf. Model.
Javier Klett, Álvaro Cortés Cabrera, Rubén Gil-Redondo, Federico Gago, Antonio Morreale
2012 J jnl
A reverse combination of structure-based and ligand-based strategies for virtual screening.
J. Comput. Aided Mol. Des.
Álvaro Cortés Cabrera, Federico Gago, Antonio Morreale
2012 J jnl
AtlasCBS: a web server to map and explore chemico-biological space.
J. Comput. Aided Mol. Des.
Álvaro Cortés Cabrera, Antonio Morreale, Federico Gago, Celerino Abad-Zapatero
2012 J jnl
CRDOCK: An Ultrafast Multipurpose Protein-Ligand Docking Tool.
J. Chem. Inf. Model.
Álvaro Cortés Cabrera, Javier Klett, Helena G. Dos Santos, Almudena Perona, Rubén Gil-Redondo, Sandrea M. Francis, Eva-Maria Priego, Federico Gago, Antonio Morreale
2012 J jnl
Reflections on the past 25 years.
J. Comput. Aided Mol. Des.
Federico Gago
2011 J jnl
VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.
J. Comput. Aided Mol. Des.
Álvaro Cortés Cabrera, Rubén Gil-Redondo, Almudena Perona, Federico Gago, Antonio Morreale
2003 J jnl
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.
Jan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský
2002 J jnl
Current perspective of information technologies in drug discovery.
J. Comput. Aided Mol. Des.
Ferran Sanz, Federico Gago
2000 J jnl
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.
Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz
2000 J jnl
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.
Raquel García-Nieto, Carlos Pérez, Federico Gago
1997 J jnl
Structure-affinity relationships for the binding of actinomycin D to DNA.
J. Comput. Aided Mol. Des.
José Gallego, Angel R. Ortiz, Beatriz de Pascual-Teresa, Federico Gago