Antonio Morreale

11 papers Journal 10Unranked 1

Year	Rank	Type	Title / Venue / Authors
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
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
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
2009	J	`jnl`	VSDMIP: virtual screening data management on an integrated platform. J. Comput. Aided Mol. Des. Rubén Gil-Redondo, Jorge Estrada, Antonio Morreale, Fernando Herranz, Javier Sancho, Angel R. Ortiz
2008	J	`jnl`	Structure-Based Discovery of Novel Non-nucleosidic DNA Alkyltransferase Inhibitors: Virtual Screening and in Vitro and in Vivo Activities. J. Chem. Inf. Model. Federico M. Ruiz, Rubén Gil-Redondo, Antonio Morreale, Angel R. Ortiz, Carmen Fàbrega, Jerónimo Bravo
2004	—	`conf`	Hydration Free Energy in Macromolecules. Spanish Bioinformatics Conference Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluís Gelpí, F. Javier Luque, Modesto Orozco
2003	J	`jnl`	Continuum and discrete calculation of fractional contributions to solvation free energy. J. Comput. Chem. Antonio Morreale, Josep Lluís Gelpí, F. Javier Luque, Modesto Orozco
1999	J	`jnl`	A computational model of the nicotinic acetylcholine binding site. J. Comput. Aided Mol. Des. Enrique Gálvez-ruano, Isabel Iriepa-Canalda, Antonio Morreale, Kenny B. Lipkowitz