Federico Gago

According to our database, Federico Gago authored at least 17 papers between 1997 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin.

Alberto Mills, Federico Gago

J. Comput. Aided Mol. Des., 2021

2020

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H₁.

Almudena Perona, M. Piedad Ros, Alberto Mills, Antonio Morreale, Federico Gago

J. Comput. Aided Mol. Des., 2020

Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts.

Alberto Mills, Federico Gago

J. Comput. Aided Mol. Des., 2020

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

How computational chemistry develops: a tribute to Peter Goodford.

Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch

J. Comput. Aided Mol. Des., 2019

2017

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

2014

ALFA: Automatic Ligand Flexibility Assignment.

Javier Klett, Álvaro Cortés Cabrera, Rubén Gil-Redondo, Federico Gago, Antonio Morreale

J. Chem. Inf. Model., 2014

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

Reflections on the past 25 years.

Federico Gago

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

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

2011

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

2003

Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.

Jan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský

J. Comput. Aided Mol. Des., 2003

2002

Current perspective of information technologies in drug discovery.

Ferran Sanz, Federico Gago

J. Comput. Aided Mol. Des., 2002

2000

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.

Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz

J. Comput. Aided Mol. Des., 2000

Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2).

Raquel García-Nieto, Carlos Pérez, Federico Gago

J. Comput. Aided Mol. Des., 2000

1997

Structure-affinity relationships for the binding of actinomycin D to DNA.

José Gallego, Angel R. Ortiz, Beatriz de Pascual-Teresa, Federico Gago

J. Comput. Aided Mol. Des., 1997