Found 323 results
Author [ Title(Desc)] Year
Filters: Filter is   [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety, Soliva, R., Monaco V., Gómez-Pinto I., Meeuwenoord N. J., Van der Marel G. A., Van Boom J. H., González C., and Orozco Modesto , Nucleic Acids Research, Volume 29, p.2973-2985, (2001)
Solvation enthalpies of neutral solutes in water and octanol, Bidon-Chanal, Axel, Huertas Oscar, Orozco Modesto, and F Luque Javier , Theoretical Chemistry Accounts, 2009/05/01, Volume 123, p.11-20, (2009)
Specific loop modifications of the thrombin-binding aptamer trigger the formation of parallel structures., Aviñó, Anna, Portella Guillem, Ferreira Ruben, Gargallo Raimundo, Mazzini Stefania, Gabelica Valérie, Orozco Modesto, and Eritja Ramon , FEBS J, 2014 Feb, Volume 281, p.1085-99, (2014)
The static and dynamic structural heterogeneities of B-DNA: extending Calladine–Dickerson rules, Dans, Pablo D., Balaceanu Alexandra, Pasi Marco, Patelli Alessandro S., Petkevičiūtė Daiva, Walther Jurgen, Hospital Adam, Bayarri Genis, Lavery Richard, Maddocks John H., et al. , Nucleic Acids Research, 10/2019, (2019)
Structural analysis of an equilibrium folding intermediate in the apoflavodoxin native ensemble by small-angle X-ray scattering., Ayuso-Tejedor, Sara, García-Fandiño Rebeca, Orozco Modesto, Sancho Javier, and Bernadó Pau , J Mol Biol, 2011 Mar 4, Volume 406, p.604-19, (2011)
Structural and Energetic Study of Cisplatin and Derivatives: Comparison of the Performance of Density Funtional Theory Implementations, Dans, Pablo Daniel, Crespo Alejandro, Estrin Darío A., and E Coitiño Laura , Journal of Chemical Theory and Computation, Volume 4, Number 5, p.740–750, (2008)
Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance, Pluta, Radoslaw, D. Boer Roeland, Lorenzo-Díaz Fabián, Russi Silvia, Gómez Hansel, Fernández-López Cris, Pérez-Luque Rosa, Orozco Modesto, Espinosa Manuel, and Coll Miquel , Proc. Natl. Acad. Sci, USA, 08/2017, Volume 114, Issue 32, p.E6526 - E6535, (2017)
Structural characterization of protein-protein complexes by integrating computational docking with small-angle scattering data., Pons, Carles, D’Abramo Marco, Svergun Dmitri I., Orozco Modesto, Bernadó Pau, and Fernandez-Recio Juan , J Mol Biol, 2010 Oct 22, Volume 403, p.217-30, (2010)
Structural, dynamical, and electronic transport properties of modified DNA duplexes containing size-expanded nucleobases., Blas, José Ramón, Huertas Oscar, Tabares Carolina, Sumpter Bobby G., Fuentes-Cabrera Miguel, Orozco Modesto, Ordejón Pablo, and F Luque Javier , J Phys Chem A, 2011 Oct 20, Volume 115, p.11344-54, (2011)
The structural impact of DNA mismatches., Rossetti, Giulia, Dans Pablo D., Gómez-Pinto Irene, Ivani Ivan, González Carlos, and Orozco Modesto , Nucleic Acids Res, 2015 Apr 30, Volume 43, p.4309-21, (2015)
Structural mechanics of DNA wrapping in the nucleosome., Battistini, Federica, Hunter Christopher A., Gardiner Eleanor J., and Packer Martin J. , J Mol Biol, 2010 Feb 19, Volume 396, p.264-79, (2010)
Structural properties of g,t-parallel duplexes., Aviñó, Anna, Cubero Elena, Gargallo Raimundo, González Carlos, Orozco Modesto, and Eritja Ramon , J Nucleic Acids, 2010, Volume 2010, (2010)
The structure and dynamics of DNA in the gas phase., Rueda, Manuel, Kalko Susana G., F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2003 Jul 2, Volume 125, p.8007-14, (2003)
Structure and Dynamics of Oligonucleotides in the Gas Phase, Arcella, Annalisa, Dreyer Jens, Ippoliti Emiliano, Ivani Ivan, Portella Guillem, Gabelica Valérie, Carloni Paolo, and Orozco Modesto , Angewandte Chemie International Edition, 01/2015, Volume 54, p.467–471, (2015)
Structure and properties of DNA in apolar solvents, Arcella, Annalisa, Portella Guillem, Collepardo-Guevara Rosana, Chakraborty Debayan, Wales David J., and Orozco Modesto , J Phys Chem B, 2014 Jul 24, Volume 118, p.8540-8, (2014)
The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane., Fort, Joana, de la Ballina Laura R., Burghardt Hans E., Ferrer-Costa Carles, Turnay Javier, Ferrer-Orta Cristina, Usón Isabel, Zorzano Antonio, Fernandez-Recio Juan, Orozco Modesto, et al. , J Biol Chem, 2007 Oct 26, Volume 282, p.31444-52, (2007)
Structure of triplex DNA in the gas phase., Arcella, Annalisa, Portella Guillem, Ruiz Maria Luz, Eritja Ramon, Vilaseca Marta, Gabelica Valérie, and Orozco Modesto , J Am Chem Soc, 2012 Apr 18, Volume 134, p.6596-606, (2012)
Structure, recognition properties, and flexibility of the DNA.RNA hybrid., Noy, Agnes, Pérez Alberto, Márquez Manuel, F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2005 Apr 6, Volume 127, p.4910-20, (2005)
Structure, Stiffness and Substates of the Dickerson-Drew Dodecamer., Dršata, Tomáš, Pérez Alberto, Orozco Modesto, Morozov Alexandre V., Sponer Jiřĺ, and Lankaš Filip , J Chem Theory Comput, 2013, Volume 9, p.707-721, (2013)
Structure-based identification of new high-affinity nucleosome binding sequences., Battistini, Federica, Hunter Christopher A., Moore Irene K., and Widom Jonathan , J Mol Biol, 2012 Jun 29, Volume 420, p.8-16, (2012)
Structure-directed reversion in the pi-facial stereoselective alkylation of chiral bicyclic lactams., Soteras, Ignacio, Lozano Oscar, Escolano Carmen, Orozco Modesto, Amat Mercedes, Bosch Joan, and F Luque Javier , J Org Chem, 2008 Oct 3, Volume 73, p.7756-63, (2008)
Subcellular localization of the interaction between the human immunodeficiency virus transactivator Tat and the nucleosome assembly protein 1, De Marco, Alex, Dans Pablo Daniel, Knezevich Anna, Maiuri Paolo, Pantano Sergio, and Marcello Alessandro , Amino acids, Volume 38, Number 5, p.1583–1593, (2010)
Substrate-assisted and nucleophilically assisted catalysis in bovine α1,3-galactosyltransferase. Mechanistic implications for retaining glycosyltransferases., Gómez, Hansel, Lluch José M., and Masgrau Laura , J Am Chem Soc, 2013 May 8, Volume 135, p.7053-63, (2013)
Surviving the deluge of biosimulation data, Hospital, Adam, Battistini Federica, Soliva Robert, Gelpí Josep Lluis, and Orozco Modesto , Wiley Interdisciplinary Reviews: WIREs Comput Mol Sci, 11/2019, Volume n/a, Issue n/a, p.e1449, (2019)
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds, Perez, Daniel I., Palomo Valle, Pérez Concepción, Gil Carmen, Dans Pablo Daniel, F Luque Javier, Conde Santiago, and Martínez Ana , Journal of medicinal chemistry, Volume 54, Number 12, p.4042–4056, (2011)
Synthesis and Properties of 2'-Deoxy-2',4'-difluoroarabinose-Modified Nucleic Acids, Martínez-Montero, Saúl, Deleavey Glen F., Dierker-Viik Arden, Lindovska Petra, Ilina Tatiana, Portella Guillem, Orozco Modesto, Parniak Michael A., González Carlos, and Damha Masad J. , The Journal of Organic Chemistry, 2015/03/20, Volume 80, Issue 6, p.3083 - 3091, (2015)
Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors., Castaño, Tania, Wang Huanchen, Campillo Nuria E., Ballester Sara, González-García Coral, Hernández Javier, Pérez Concepción, Cuenca Jimena, Pérez-Castillo Ana, Martínez Ana, et al. , ChemMedChem, 2009 May, Volume 4, p.866-76, (2009)
A synthetic genetic polymer with an uncharged backbone chemistry based on alkyl phosphonate nucleic acids, Arangundy-Franklin, Sebastian, Taylor Alexander I., Porebski Benjamin T., Genna Vito, Peak-Chew Sew, Vaisman Alexandra, Woodgate Roger, Orozco Modesto, and Holliger Philipp , Nature Chemistry, 04/2019, (2019)
A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA., Lavery, Richard, Zakrzewska Krystyna, Beveridge David, Bishop Thomas C., Case David A., Cheatham Thomas, Dixit Surjit, Jayaram B, Lankaš Filip, Laughton Charles, et al. , Nucleic Acids Res, 2010 Jan, Volume 38, p.299-313, (2010)
A systematic study of the energetics involved in structural changes upon association and connectivity in protein interaction networks., Stein, Amelie, Rueda Manuel, Panjkovich Alejandro, Orozco Modesto, and Aloy Patrick , Structure, 2011 Jun 8, Volume 19, p.881-9, (2011)
Target flexibility: an emerging consideration in drug discovery and design., Cozzini, Pietro, Kellogg Glen E., Spyrakis Francesca, Abraham Donald J., Costantino Gabriele, Emerson Andrew, Fanelli Francesca, Gohlke Holger, Kuhn Leslie A., Morris Garrett M., et al. , J Med Chem, 2008 Oct 23, Volume 51, p.6237-55, (2008)
Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes, Garcia-Lopez, Amparo, Tessaro Francesca, Jonker Hendrik R. A., Wacker Anna, Richter Christian, Comte Arnaud, Berntenis Nikolaos, Schmucki Roland, Hatje Klas, Petermann Olivier, et al. , Nature Communication, 2018/05/23, Volume 9, Issue 1, p.2032, (2018)
Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility., Noy, Agnes, F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2008 Mar 19, Volume 130, p.3486-96, (2008)
Theoretical characterization of the dynamical behavior and transport properties of alpha,gamma-peptide nanotubes in solution., García-Fandiño, Rebeca, Granja Juan R., D’Abramo Marco, and Orozco Modesto , J Am Chem Soc, 2009 Nov 4, Volume 131, p.15678-86, (2009)
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems., Orozco, Modesto, and F. Luque Javier , Chem Rev, 2000 Nov 8, Volume 100, p.4187-4226, (2000)
Theoretical methods for the simulation of nucleic acids., Orozco, Modesto, Pérez Alberto, Noy Agnes, and F Luque Javier , Chem Soc Rev, 2003 Nov, Volume 32, p.350-64, (2003)
Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?, Soliva, Robert, Almansa Carmen, Kalko Susana G., F Luque Javier, and Orozco Modesto , J Med Chem, 2003 Apr 10, Volume 46, p.1372-82, (2003)
Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplex., Cubero, Elena, Abrescia Nicola G. A., Subirana Juan A., F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2003 Nov 26, Volume 125, p.14603-12, (2003)
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment., Ribas, Jordi, Cubero Elena, F Luque Javier, and Orozco Modesto , J Org Chem, 2002 Oct 4, Volume 67, p.7057-65, (2002)
Theoretical study of anion binding to calix[4]pyrrole: the effects of solvent, fluorine substitution, cosolute, and water traces., J Blas, Ramón, Márquez Manuel, Sessler Jonathan L., F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2002 Oct 30, Volume 124, p.12796-805, (2002)
Theoretical study of large conformational transitions in DNA: the B<–>A conformational change in water and ethanol/water., Noy, Agnes, Pérez Alberto, Laughton Charles A., and Orozco Modesto , Nucleic Acids Res, 2007, Volume 35, p.3330-8, (2007)
Theoretical study of the guanine –> 6-thioguanine substitution in duplexes, triplexes, and tetraplexes., Spacková, Nad’a, Cubero Elena, Sponer Jiri, and Orozco Modesto , J Am Chem Soc, 2004 Nov 10, Volume 126, p.14642-50, (2004)
Theoretical study of the Hoogsteen-Watson-Crick junctions in DNA., Cubero, Elena, F Luque Javier, and Orozco Modesto , Biophys J, 2006 Feb 1, Volume 90, p.1000-8, (2006)
Theoretical study of the mechanisms of substrate recognition by catalase., Kalko, S G., Gelpí Josep-Lluis, Fita I, and Orozco Modesto , J Am Chem Soc, 2001 Oct 3, Volume 123, p.9665-72, (2001)
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism., Crespo, Alejandro, Martí Marcelo A., Kalko Susana G., Morreale Antonio, Orozco Modesto, Gelpí Josep-Lluis, F Luque Javier, and Estrin Darío A. , J Am Chem Soc, 2005 Mar 30, Volume 127, p.4433-44, (2005)
A theoretical view of protein dynamics, Orozco, Modesto , Chem. Soc. Rev., Volume 43, p.5051-5066, (2014)
Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools., Perez, Daniel I., Conde Santiago, Pérez Concepción, Gil Carmen, Simon Diana, Wandosell Francisco, Moreno Francisco J., Gelpí Josep-Lluis, Luque Francisco J., and Martínez Ana , Bioorg Med Chem, 2009 Oct 1, Volume 17, p.6914-25, (2009)
Thorough validation of protein normal mode analysis: a comparative study with essential dynamics., Rueda, Manuel, Chacón Pablo, and Orozco Modesto , Structure, 2007 May, Volume 15, p.565-75, (2007)
Time averaging of NMR chemical shifts in the MLF peptide in the solid state., De Gortari, Itzam, Portella Guillem, Salvatella Xavier, Bajaj Vikram S., van der Wel Patrick C. A., Yates Jonathan R., Segall Matthew D., Pickard Chris J., Payne Mike C., and Vendruscolo Michele , J Am Chem Soc, 2010 May 5, Volume 132, p.5993-6000, (2010)
The tomato genome sequence provides insights into fleshy fruit evolution., , Nature, 2012 May 31, Volume 485, p.635-41, (2012)