Gago, Federico : rechercher sur Z-Library

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1

Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics

Ana Negri, Esther Marco, Jiri Damborsky, Federico Gago

Journal:

Journal of Molecular Graphics and Modelling

Année:

2007

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2007

2

Las hormonas gastrointestinales en el control de la ingesta de alimentos

Mayte Álvarez Crespo, lucas C. González Matías, Manuel Gil Lozano, Soledad Fontans Paz, Marina Romaní Pérez, Eva Vigo Gago, Federico Mallo Ferrer

Journal:

Endocrinología y Nutrición

Année:

2009

Fichier:

PDF, 434 KB

2009

3

Structure, physiological role, and specific inhibitors of human thymidine kinase 2 (TK2): Present and future

María-Jesús Pérez-Pérez, Eva-María Priego, Ana-Isabel Hernández, Olga Familiar, María-José Camarasa, Ana Negri, Federico Gago, Jan Balzarini

Journal:

Medicinal Research Reviews

Année:

2008

Langue:

english

Fichier:

PDF, 576 KB

english, 2008

4

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

Journal:

Journal of Computer-Aided Molecular Design

Année:

2011

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2011

5

Further Insight into the DNA Recognition Mechanism of Trabectedin from the Differential Affinity of Its Demethylated Analogue Ecteinascidin ET729 for the Triplet DNA Binding Site CGA

Marco, Esther, David-Cordonnier, Marie-Hélène, Bailly, Christian, Cuevas, Carmen, Gago, Federico

Journal:

Journal of Medicinal Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 303 KB

english, 2006

6

Solution structure and stability of a disulfide cross-linked nucleopeptide duplexElectronic supplementary information (ESI) available: the imino region of the NOESY spectrum of [Ac-Cys-Gly-Ala-Hse(p3?dGCATGC)-Ala-OH]2[S-S] in H2O; NMR and UV melting curves of [Ac-Cys-Gly-Ala-Hse(p3?dGCATGC)-Ala-OH]2[S-S]; table of 1H NMR assignments. See http://www.rsc.org/suppdata/cc/b3/b307300a/

G�mez-Pinto, Irene, March�n, Vicente, Gago, Federico, Grandas, Anna, Gonz�lez, Carlos

Journal:

Chemical Communications

Année:

2003

Langue:

english

Fichier:

PDF, 137 KB

english, 2003

7

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

Mills, Alberto, Gago, Federico

Journal:

Journal of Computer-Aided Molecular Design

Année:

2020

Langue:

english

Fichier:

PDF, 3.74 MB

english, 2020

8

N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction

de Castro, Sonia, Ginex, Tiziana, Vanderlinden, Evelien, Laporte, Manon, Stevaert, Annelies, Cumella, JosÃ©, Gago, Federico, Camarasa, MarÃa JosÃ©, Luque, F. Javier, Naesens, Lieve, Velazquez, Sonsol

Journal:

European Journal of Medicinal Chemistry

Année:

2020

Langue:

english

Fichier:

PDF, 3.01 MB

english, 2020

9

Design eines nichtpeptidischen Rezeptors als Mimeticum für die Phosphocholin-Bindungsstelle des Antikörpers McPC603

J. Oriol Magrans, Angel R. Ortiz, Dr. M. Antònia Molins, Paul H. P. Lebouille, Jorge Sánchez-Quesada, Prof. Dr. Pilar Prados, Prof. Dr. Miquel Pons, Federico Gago, Prof. Dr. Javier de Mendoza

Journal:

Angewandte Chemie

Année:

1996

Fichier:

PDF, 498 KB

1996

10

A Designed Non-Peptidic Receptor that Mimics the Phosphocholine Binding Site of the McPC603 Antibody

J. Oriol Magrans, Dr. Angel R. Ortiz, Dr. M. Antònia Molins, Paul H. P. Lebouille, Prof. Dr. Jorge Sánchez-Quesada, Prof. Dr. Pilar Prados, Prof. Dr. Miquel Pons, Prof. Dr. Federico Gago, Prof. Dr. Ja

Journal:

Angewandte Chemie International Edition

Année:

1996

Langue:

english

Fichier:

PDF, 538 KB

english, 1996

11

Solution Structure and Stability of Tryptophan-Containing Nucleopeptide Duplexes

Irene Gómez-Pinto, Vicente Marchán, Federico Gago, Anna Grandas, Carlos González

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 216 KB

english, 2003

12

Mechanistic Insight into the Catalytic Activity of ββα-Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case

Juan A. Bueren-Calabuig, Claire Coderch, Dr. Eva Rico, Prof. Antonio Jiménez-Ruiz, Prof. Federico Gago

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2011

13

Improving the Selectivity of Acyclic Nucleoside Analogues as Inhibitors of Human Mitochondrial Thymidine Kinase: Replacement of a Triphenylmethoxy Moiety with Substituted Amines and Carboxamides.

Ana-Isabel Hernandez, Jan Balzarini, Fatima Rodriguez-Barrios, Ana San-Felix, Anna Karlsson, Federico Gago, Maria-Jose Camarasa, Maria Jesus Perez-Perez

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 121 KB

english, 2003

14

ChemInform Abstract: The Dual Role of Thymidine Phosphorylase in Cancer Development and Chemotherapy

Annelies Bronckaers, Federico Gago, Jan Balzarini, Sandra Liekens

Journal:

Année:

2010

Fichier:

PDF, 11 KB

2010

15

ChemInform Abstract: Unusual Approach to 3-Aryl-2-aminopyridines Through a Radical Mechanism: Synthesis and Theoretical Rationale form Quantum Mechanical Calculations.

Marta Camacho-Artacho, Valentina Abet, Luis M. Frutos, Federico Gago, Julio Alvarez-Builla, Carolina Burgos

Journal:

Année:

2011

Fichier:

PDF, 23 KB

2011

16

Overcoming the Inadequacies or Limitations of Experimental Structures as Drug Targets by Using Computational Modeling Tools and Molecular Dynamics Simulations

Esther Marco, Federico Gago

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 901 KB

english, 2007

17

Exploring Acyclic Nucleoside Analogues as Inhibitors of Mycobacterium tuberculosis Thymidylate Kinase

Olga Familiar, Hélène Munier-Lehmann, Ana Negri, Federico Gago, Dominique Douguet, Leen Rigouts, Ana-Isabel Hernández, María-José Camarasa, María-Jesús Pérez-Pérez

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 341 KB

english, 2008

18

The dual role of thymidine phosphorylase in cancer development and chemotherapy

Annelies Bronckaers, Federico Gago, Jan Balzarini, Sandra Liekens

Journal:

Medicinal Research Reviews

Année:

2009

Langue:

english

Fichier:

PDF, 757 KB

english, 2009

19

Molecular foundations of drug-receptor interaction : P.M. Dean, Cambridge University Press, USA (1987) $75.00 (hardback) ISBN 0-521-30255-2, 350pp

Journal:

Journal of Molecular Graphics

Année:

1987

Langue:

english

Fichier:

PDF, 142 KB

english, 1987

20

Optimization of Taxane Binding to Microtubules: Binding Affinity Dissection and Incremental Construction of a High-Affinity Analog of Paclitaxel

Ruth Matesanz, Isabel Barasoain, Chun-Gang Yang, Lei Wang, Xuan Li, Concepción de Inés, Claire Coderch, Federico Gago, Jesús Jiménez Barbero, José Manuel Andreu, Wei-Shuo Fang, José Fernando Díaz

Journal:

Chemistry & Biology

Année:

2008

Langue:

english

Fichier:

PDF, 984 KB

english, 2008

21

Use of droplet counter-current chromatography in log P determinations

Federico Gago, Julio Alvarez-Builla, José Elguero

Journal:

Journal of Chromatography A

Année:

1986

Langue:

english

Fichier:

PDF, 289 KB

english, 1986

22

Azinium-N-(2′-azinyl)aminides: synthesis, structure and reactivity

Rosa Carceller, Jose L. García-Navío, María L. Izquierdo, Julio Alvarez-Builla, Mariano Fajardo, Pilar Gómez-Sal, Federico Gago

Journal:

Année:

1994

Langue:

english

Fichier:

PDF, 1.02 MB

english, 1994

23

Improving the selectivity of acyclic nucleoside analogues as inhibitors of human mitochondrial thymidine kinase: replacement of a triphenylmethoxy moiety with substituted amines and carboxamides

Ana-Isabel Hernández, Jan Balzarini, Fátima Rodrı́guez-Barrios, Ana San-Félix, Anna Karlsson, Federico Gago, Marı́a-José Camarasa, Marı́a Jesús Pérez-Pérez

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2003

Langue:

english

Fichier:

PDF, 189 KB

english, 2003

24

Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitors

Manuel Pastor, Carlos Pérez, Federico Gago

Journal:

Journal of Molecular Graphics and Modelling

Année:

1997

Langue:

english

Fichier:

PDF, 531 KB

english, 1997

25

Molecular dynamics simulations of the conformational changes of the glutamate receptor ligand-binding core in the presence of glutamate and kainate

Jesús Mendieta, Galo Ramírez, Federico Gago

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2001

Langue:

english

Fichier:

PDF, 397 KB

english, 2001

26

Protein–protein interactions at an enzyme–substrate interface: Characterization of transient reaction intermediates throughout a full catalytic cycle of Escherichia coli thioredoxin reductase

Ana Negri, David Rodríguez-Larrea, Esther Marco, Antonio Jiménez-Ruiz, José M. Sánchez-Ruiz, Federico Gago

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2010

Langue:

english

Fichier:

PDF, 505 KB

english, 2010

27

gCOMBINE: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes

Rubén Gil-Redondo, Javier Klett, Federico Gago, Antonio Morreale

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2010

Langue:

english

Fichier:

PDF, 444 KB

english, 2010

28

In memoriam

David Abia, Ugo Bastolla, Pablo Chacón, Carme Fábrega, Federico Gago, Antonio Morreale, Anna Tramontano

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2010

Langue:

english

Fichier:

PDF, 175 KB

english, 2010

29

Functional evidence of des-Arg10-kallidin enzymatic inactivating pathway in isolated human umbilical vein

Wanda Nowak, Ezequiel Dario Goldschmidt, Alejandra Georgina Falcioni, Mariana Ines Pugliese, Andrea Emilse Errasti, Facundo German Pelorosso, Federico Manuel Daray, Juan Ezequiel Gago, Rodolfo Pedro R

Journal:

Naunyn-Schmiedeberg's Archives of Pharmacology

Année:

2007

Langue:

english

Fichier:

PDF, 242 KB

english, 2007

30

Reflections on the past 25

Journal:

Journal of Computer-Aided Molecular Design

Année:

2012

Langue:

english

Fichier:

PDF, 87 KB

english, 2012

31

In silico activation of Src tyrosine kinase reveals the molecular basis for intramolecular autophosphorylation

Jesús Mendieta, Federico Gago

Journal:

Journal of Molecular Graphics and Modelling

Année:

2004

Langue:

english

Fichier:

PDF, 610 KB

english, 2004

32

Group contributions to hydrophobicity and elution behaviour of pyridine derivatives in reversed-phase high-performance liquid chromatography

Federico Gago, Julio Alvarez-Builla, José Elguero

Journal:

Journal of Chromatography A

Année:

1988

Langue:

english

Fichier:

PDF, 461 KB

english, 1988

33

Structure–affinity relationships for the binding of actinomycin D to DNA

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

Journal:

Journal of Computer-Aided Molecular Design

Année:

1997

Langue:

english

Fichier:

PDF, 832 KB

english, 1997

34

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

Journal:

Journal of Computer-Aided Molecular Design

Année:

2000

Langue:

english

Fichier:

PDF, 255 KB

english, 2000

35

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

Journal:

Journal of Computer-Aided Molecular Design

Année:

2000

Langue:

english

Fichier:

PDF, 244 KB

english, 2000

36

AtlasCBS: a web server to map and explore chemico-biological space

Álvaro Cortés-Cabrera, Antonio Morreale, Federico Gago, Celerino Abad-Zapatero

Journal:

Journal of Computer-Aided Molecular Design

Année:

2012

Langue:

english

Fichier:

PDF, 753 KB

english, 2012

37

Comparative Binding Energy (COMBINE) Analysis Supports a Proposal for the Binding Mode of Epothilones to β-Tubulin

Claire Coderch, Javier Klett, Dr. Antonio Morreale, Dr. J. Fernando Díaz, Prof. Federico Gago

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2012

38

Hydrophobicity of Heterocycles: Determination of the π Values of Substituents on N-Phenylpyrazoles

Federico Gago, Manuel Pastor, Javier Pérez-Butragueño, Raquel López, Julio Alvarez-Builla, Joseé Elguero

Journal:

Molecular Informatics

Année:

1994

Langue:

english

Fichier:

PDF, 507 KB

english, 1994

39

A reverse combination of structure-based and ligand-based strategies for virtual screening

Álvaro Cortés-Cabrera, Federico Gago, Antonio Morreale

Journal:

Journal of Computer-Aided Molecular Design

Année:

2012

Langue:

english

Fichier:

PDF, 513 KB

english, 2012

40

Discovery of TSAO derivatives with an unusual HIV-1 activity/resistance profile

Sonia de Castro, Carlos García-Aparicio, Kristel Van Laethem, Federico Gago, Esther Lobatón, Erik De Clercq, Jan Balzarini, María-José Camarasa, Sonsoles Velázquez

Journal:

Antiviral Research

Année:

2006

Langue:

english

Fichier:

PDF, 395 KB

english, 2006

41

Dimerization inhibitors of HIV-1 reverse transcriptase, protease and integrase: A single mode of inhibition for the three HIV enzymes?

María-José Camarasa, Sonsoles Velázquez, Ana San-Félix, María-Jesús Pérez-Pérez, Federico Gago

Journal:

Antiviral Research

Année:

2006

Langue:

english

Fichier:

PDF, 295 KB

english, 2006

42

Molecular pharmacology and antitumor activity of Zalypsis® in several human cancer cell lines

Juan F.M. Leal, Verónica García-Hernández, Victoria Moneo, Alberto Domingo, Juan Antonio Bueren-Calabuig, Ana Negri, Federico Gago, María José Guillén-Navarro, Pablo Avilés, Carmen Cuevas, Luis Franci

Journal:

Biochemical Pharmacology

Année:

2009

Langue:

english

Fichier:

PDF, 487 KB

english, 2009

43

XPF-Dependent DNA Breaks and RNA Polymerase II Arrest Induced by Antitumor DNA Interstrand Crosslinking-Mimetic Alkaloids

Sascha Feuerhahn, Christophe Giraudon, Marta Martínez-Díez, Juan A. Bueren-Calabuig, Carlos M. Galmarini, Federico Gago, Jean-Marc Egly

Journal:

Chemistry & Biology

Année:

2011

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2011

44

Leishmania infantum expresses a mitochondrial nuclease homologous to EndoG that migrates to the nucleus in response to an apoptotic stimulus

Eva Rico, Juan Fernando Alzate, Andrés Augusto Arias, David Moreno, Joachim Clos, Federico Gago, Inmaculada Moreno, Mercedes Domínguez, Antonio Jiménez-Ruiz

Journal:

Molecular and Biochemical Parasitology

Année:

2009

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2009

45

Regulation of cyclooxygenase activity by metamizol

Carmen Campos, Rosa de Gregorio, Raquel Garcı́a-Nieto, Federico Gago, Pablo Ortiz, Susana Alemany

Journal:

European Journal of Pharmacology

Année:

1999

Langue:

english

Fichier:

PDF, 266 KB

english, 1999

46

Exploring the role of the 5′-position of TSAO-T. Synthesis and anti-HIV evaluation of novel TSAO-T derivatives

Cristina Chamorro, Marı́a-Jesús Pérez-Pérez, Fátima Rodrı́guez-Barrios, Federico Gago, Erik De Clercq, Jan Balzarini, Ana San-Félix, Marı́a-José Camarasa

Journal:

Antiviral Research

Année:

2001

Langue:

english

Fichier:

PDF, 262 KB

english, 2001

47

CRDOCK: An Ultrafast Multipurpose Protein–Ligand Docking Tool

Cabrera, Álvaro Cortés, Klett, Javier, G. Dos Santos, Helena, Perona, Almudena, Gil-Redondo, Rubén, Francis, Sandrea M., Priego, Eva M., Gago, Federico, Morreale, Antonio

Journal:

Journal of Chemical Information and Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 967 KB

english, 2012

48

Stacking Interactions and Intercalative DNA Binding

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 277 KB

english, 1998

49

One left-handed strand in DNA-oligonucleotide complexes?

Federico Gago, W.G. Richards

Journal:

Année:

1989

Langue:

english

Fichier:

PDF, 423 KB

english, 1989

50

Phosphorylation modulates the alpha-helical structure and polymerization of a peptide from the third tau microtubule-binding repeat

Jesús Mendieta, Miguel A. Fuertes, Rani Kunjishapatham, Ismael Santa-María, Francisco J. Moreno, Carlos Alonso, Federico Gago, Victor Muñoz, Jesús Avila, Félix Hernández

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Année:

2005

Langue:

english

Fichier:

PDF, 630 KB

english, 2005