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closedAccess20135'-Trityl-substituted thymidine derivatives as a novel class of antileishmanial agents: Leishmania infantum EndoG as a potential targetCasanova, Elena CSIC; Moreno, David; Gigante, Alba CSIC ORCID; Genes, Carlos Mario; Rico, Eva; Oliva, Cristina; Camarasa Rius, María José CSIC ORCID; Gago, Federico CSIC ORCID; Jiménez-Ruiz, Antonio; Peréz-Pérez, María-Jesús CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2012A reverse combination of structure-based and ligand-based strategies for virtual screeningCortés Cabrera, Álvaro CSIC ORCID; Gago, Federico CSIC ORCID; Morreale, Antonioartículo
openAccessA second-generation of tryptophan.pdf.jpg3-Apr-2019A second-generation of tryptophan-containing small molecules extremely potent against HIV and EV-A71 clinical isolatesMartí-Marí, Olaia; Martínez-Gualda, Belén; Puente-Secades, Sofía de la; Quesada, Ernesto CSIC ORCID; Sun, Liang; Delang, Leen; Mirabelli, Carmen; Noppen, Sam; Schols, Dominique; Neyts, Johan; Gago, Federico CSIC ORCID; Camarasa Rius, María José CSIC ORCID; San-Félix, Ana CSIC ORCID CVNactas de congreso
openAccesstubulin_binding_Coderch.pdf.jpgMar-2013A structure-based design of new C2- and C13-substituted taxanes: Tubulin binding affinities and extended quantitative structure-activity relationships using comparative binding energy (COMBINE) analysisCoderch, Claire; Tang, Yong; Klett, Javier CSIC ORCID; Zhang, Shu-En; Ma, Yung-Tao; Shaorong, Wang; Matesanz, Ruth CSIC ; Pera, Benet CSIC; Canales, Ángeles CSIC ORCID; Jiménez-Barbero, Jesús CSIC ORCID; Morreale, Antonio; Díaz, José Fernando CSIC ORCID ; Fang, Wei-shuo S.; Gago, Federico CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2013Antiviral agents: structural basis of action and rational designMenéndez-Arias, Luis CSIC ORCID ; Gago, Federico CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012AtlasCBS: A web server to map and explore chemico-biological spaceCortés Cabrera, Álvaro CSIC ORCID; Morreale, Antonio; Gago, Federico CSIC ORCID; Abad-Zapatero, Celeartículo
closedAccessaccesoRestringido.pdf.jpg2020Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tractsMills, A.; Gago, Federico CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2018Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalisArco, J. del; Sánchez-Murcia, Pedro A. CSIC ORCID; Mancheño, Jose M. CSIC ORCID; Gago, Federico CSIC ORCID; Fernández-Lucas, J.artículo
closedAccessaccesoRestringido.pdf.jpg2019Cold-induced aldimine bond cleavage by Tris in: Bacillus subtilis alanine racemaseBernardo-García, Noelia CSIC; Sánchez-Murcia, Pedro A. CSIC ORCID; Espaillat, Akbar; Martínez-Caballero, S.; Cava, Felipe CSIC ORCID; Hermoso, Juan A. CSIC ORCID; Gago, Federico CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Comparative Binding Energy (COMBINE) Analysis Supports a Proposal for the Binding Mode of Epothilones to β-TubulinCoderch, Claire; Klett, Javier CSIC ORCID; Morreale, Antonio; Díaz, José Fernando CSIC ORCID ; Gago, Federico CSIC ORCIDartículo
openAccessMJC-4.pdf.jpg2015Comparison of hydrocarbon-and lactam-bridged cyclic peptides as dimerization inhibitors of Leishmania infantum trypanothione reductaseSánchez-Murcia, Pedro A. CSIC ORCID; Ruiz-Santaquiteria, Marta CSIC ORCID; Toro, Miguel A.; Lucio, H. de; Jiménez, M. Angeles CSIC ORCID ; Gago, Federico CSIC ORCID; Jiménez-Ruiz, Antonio; Camarasa Rius, María José CSIC ORCID; Velázquez, Sonsoles CSIC ORCID CVNartículo
closedAccessaccesoRestringido.pdf.jpg2013Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacologyCortés Cabrera, Álvaro CSIC ORCID; Morris, Garret M.; Finn, Paul W.; Morreale, Antonio; Gago, Federico CSIC ORCIDartículo
openAccessMJC-1.pdf.jpg2015Conservation of antiviral activity and improved selectivity in PMEO-DAPym upon pyrimidine to triazine scaffold hoppingCastro, Sonia de; Fernández-Cureses, Gloria CSIC; Andrei, G; Snoeck, R.; Sánchez-Murcia, Pedro A. CSIC ORCID; Korban, B.; Gago, Federico CSIC ORCID; Balzarini, Jan; Camarasa Rius, María José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012CRDOCK: An ultrafast multipurpose protein-ligand docking toolCortés Cabrera, Álvaro CSIC ORCID; Klett, Javier CSIC ORCID; Dos Santos, Helena G.; Perona, Almudena; Gil Redondo, Rubén; Francis, Sandrea M. CSIC; Priego, Eva María CSIC ORCID; Gago, Federico CSIC ORCID; Morreale, Antonioartículo
closedAccessaccesoRestringido.pdf.jpg2020Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1Perona, Almudena; Ros, M. Piedad; Mills, Alberto; Morreale, Antonio; Gago, Federico CSIC ORCIDartículo
openAccessacs.jmedchem.1c00315-1.pdf.jpg7-Jul-2021Double Arylation of the Indole Side Chain of Tri- and Tetrapodal Tryptophan Derivatives Renders Highly Potent HIV‑1 and EV-A71 Entry InhibitorsMartí-Marí, Olaia; Martínez-Gualda, Belén; Puente-Secades, Sofía de la; Mills, Alberto; Quesada, Ernesto CSIC ORCID; Abdelnabi, Rana; Sun, Liang; Boonen, Arnaud; Noppen, Sam; Neyts, Johan; Schols, Dominique; Camarasa Rius, María José CSIC ORCID; Gago, Federico CSIC ORCID; San-Félix, Ana CSIC ORCID CVNartículo
openAccessenantioselective_oxidation_benavente.pdf.jpg2015Enantioselective oxidation of galactitol 1-phosphate by galactitol-1-phosphate 5-dehydrogenase from Escherichia coliBenavente, Rocio CSIC; Esteban-Torres, María CSIC ORCID; Kohring, G. W.; Cortés Cabrera, Álvaro CSIC ORCID; Sánchez-Murcia, Pedro A. CSIC ORCID; Gago, Federico CSIC ORCID; Acebrón, Iván CSIC ORCID; Rivas, Blanca de las CSIC ORCID; Muñoz, Rosario CSIC ORCID ; Mancheño, Jose M. CSIC ORCIDartículo
openAccessTrypanosoma_brucei.pdf.jpg18-Jul-2018Enzymatic synthesis of therapeutic nucleosides using a highly versatile purine nucleoside 2’-Deoxyribosyl transferase from Trypanosoma bruceiPérez, Elena; Sánchez-Murcia, P.A.; Jordaan, Justin; Blanco, María Dolores; Mancheño, Jose M. CSIC ORCID; Gago, Federico CSIC ORCID; Fernández-Lucas, J.artículo
openAccessEsterase LPEst1.pdf.jpg24-Mar-2014Esterase LpEst1 from Lactobacillus plantarum: a novel and atypical member of the αβ hydrolase superfamily of enzymesÁlvarez, Yanaisis; Esteban-Torres, María CSIC ORCID; Cortés Cabrera, Álvaro CSIC ORCID; Gago, Federico CSIC ORCID; Acebrón, Iván CSIC ORCID; Benavente, Rocio CSIC; Mardo, K.; Rivas, Blanca de las CSIC ORCID; Muñoz, Rosario CSIC ORCID ; Mancheño, Jose M. CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2004ET-18-OCH3 (edelfosine): A selective antitumour lipid targeting apoptosis through intracellular activation of Fas/CD95 death receptorMollinedo, Faustino CSIC ORCID ; Gajate, Consuelo CSIC ORCID ; Martín-Santamaría, Sonsoles CSIC ORCID ; Gago, Federico CSIC ORCIDartículo