Biblio

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)

Coarse-grained representation of protein flexibility. Foundations, successes, and shortcomings., Orozco, Modesto, Orellana Laura, Hospital Adam, Naganathan Athi N., Emperador Agustí, Carrillo Oliver, and Gelpí J L. , Adv Protein Chem Struct Biol, 2011, Volume 85, p.183-215, (2011)

The dynamic view of proteins: comment on "Comparing proteins to their internal dynamics: exploring structure-function relationships beyond static structural alignments"., Orozco, Modesto , Phys Life Rev, 2013 Mar, Volume 10, p.29-30; discussion 39-40, (2013)

A theoretical view of protein dynamics, Orozco, Modesto , Chem. Soc. Rev., Volume 43, p.5051-5066, (2014)

Binding affinities of oligonucleotides and PNAs containing phenoxazine and G-clamp cytosine analogues are unusually sequence-dependent., Ortega, José-Antonio, Blas José Ramón, Orozco Modesto, Grandas Anna, Pedroso Enrique, and Robles Jordi , Org Lett, 2007 Oct 25, Volume 9, p.4503-6, (2007)

Screening of inhibitors of porcine dipeptidyl peptidase IV activity in aqueous extracts from marine organisms, Pascual, Isel, Lopéz Alí, Gómez Hansel, Chappé Mae, Saroyán Angélika, Gonzalez Yamile, Cisneros Miguel, Charli Jean Louis, and Chávez María de los Ang , Enzyme Microb. Technol., Volume 40, Number {3, SI}, {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, p.414-419, (2007)

Effect of divalent cations on the porcine kidney cortex membrane-bound form of dipeptidyl peptidase IV., Pascual, Isel, Gómez Hansel, Pons Tirso, Chappé Mae, Vargas Miguel Angel, Valdés Gilberto, Lopéz Alí, Saroyán Angélika, Charli Jean-Louis, and Chávez María de los Ang , Int J Biochem Cell Biol, 2011 Mar, Volume 43, p.363-71, (2011)

μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA., Pasi, Marco, Maddocks John H., Beveridge David, Bishop Thomas C., Case David A., Cheatham Thomas, Dans Pablo D., Jayaram B, Lankaš Filip, Laughton Charles, et al. , Nucleic Acids Res, 2014 Oct 29, Volume 42, p.12272-83, (2014)

Towards a molecular dynamics consensus view of B-DNA flexibility., Pérez, Alberto, Lankaš Filip, F Luque Javier, and Orozco Modesto , Nucleic Acids Res, 2008 Apr, Volume 36, p.2379-94, (2008)

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)

Impact of methylation on the physical properties of DNA., Pérez, Alberto, Castellazzi Chiara Lara, Battistini Federica, Collinet Kathryn, Flores Oscar, Deniz Ozgen, Ruiz Maria Luz, Torrents David, Eritja Ramon, Soler-López Montserrat, et al. , Biophys J, 2012 May 2, Volume 102, p.2140-8, (2012)

Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study., Pérez, Alberto, Sponer Jiri, Jurecka Petr, Hobza Pavel, F Luque Javier, and Orozco Modesto , Chemistry, 2005 Aug 19, Volume 11, p.5062-6, (2005)

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)

Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers., Pérez, Alberto, Marchán Ivan, Svozil Daniel, Sponer Jiri, Cheatham Thomas E., Laughton Charles A., and Orozco Modesto , Biophys J, 2007 Jun 1, Volume 92, p.3817-29, (2007)

Dynamics of B-DNA on the microsecond time scale., Pérez, Alberto, F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2007 Nov 28, Volume 129, p.14739-45, (2007)

The relative flexibility of B-DNA and A-RNA duplexes: database analysis., Pérez, Alberto, Noy Agnes, Lankaš Filip, F Luque Javier, and Orozco Modesto , Nucleic Acids Res, 2004, Volume 32, p.6144-51, (2004)

Frontiers in molecular dynamics simulations of DNA., Pérez, Alberto, F Luque Javier, and Orozco Modesto , Acc Chem Res, 2012 Feb 21, Volume 45, p.196-205, (2012)

Real-time atomistic description of DNA unfolding., Pérez, Alberto, and Orozco Modesto , Angew Chem Int Ed Engl, 2010 Jun 28, Volume 49, p.4805-8, (2010)

The EMBRACE web service collection, Pettifer, Steve, Ison Jon, Kalaš Matúš, Thorne Dave, McDermott Philip, Jonassen Inge, Liaquat Ali, Fernández José M., Rodriguez Jose M., Partners INB-, et al. , Nucleic Acids Research, Volume 38, p.W683-W688, (2010)

Cystinuria-specific rBAT(R365W) mutation reveals two translocation pathways in the amino acid transporter rBAT-b0,+AT., Pineda, Marta, Wagner Carsten A., Bröer Angelika, Stehberger Paul A., Kaltenbach Simone, Gelpí Josep-Lluis, Del Río Rafael Martín, Zorzano Antonio, Palacín Manuel, Lang Florian, et al. , Biochem J, 2004 Feb 1, Volume 377, p.665-74, (2004)

htSeqTools: high-throughput sequencing quality control, processing and visualization in R., Planet, Evarist, Attolini Camille Stephan- Ot, Reina Oscar, Flores Oscar, and Rossell David , Bioinformatics, 2012 Feb 15, Volume 28, p.589-90, (2012)

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)

Scoring by intermolecular pairwise propensities of exposed residues (SIPPER): a new efficient potential for protein-protein docking., Pons, Carles, Talavera David, de la Cruz Xavier, Orozco Modesto, and Fernandez-Recio Juan , J Chem Inf Model, 2011 Feb 28, Volume 51, p.370-7, (2011)

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)

Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry, Porrini, Massimiliano, Rosu Frédéric, Rabin Clémence, Darré Leonardo, Gómez Hansel, Orozco Modesto, and Gabelica Valérie , ACS Central Science, 05/2017, Volume 3, Issue 5, p.454 - 461, (2017)

Design of peptide-membrane interactions to modulate single-file water transport through modified gramicidin channels., Portella, Guillem, Polupanow Tanja, Zocher Florian, Boytsov Danila A., Pohl Peter, Diederichsen Ulf, and de Groot Bert L. , Biophys J, 2012 Oct 17, Volume 103, p.1698-705, (2012)

MD and NMR analyses of choline and TMA binding to duplex DNA: on the origins of aberrant sequence-dependent stability by alkyl cations in aqueous and water-free solvents., Portella, Guillem, Germann Markus W., Hud Nicholas V., and Orozco Modesto , J Am Chem Soc, 2014 Feb 26, Volume 136, p.3075-86, (2014)

Multiple routes to characterize the folding of a small DNA hairpin., Portella, Guillem, and Orozco Modesto , Angew Chem Int Ed Engl, 2010 Oct 11, Volume 49, p.7673-6, (2010)

Can A Denaturant Stabilize DNA? Pyridine Reverses DNA Denaturation in Acidic pH, Portella, Guillem, Terrazas Montserrat, Villegas Núria, González Carlos, and Orozco Modesto , Angewandte Chemie International Edition, Volume 54, p.10488–10491, (2015)

Understanding the Connection between Epigenetic DNA Methylation and Nucleosome Positioning from Computer Simulations, Portella, Guillem, Battistini Federica, and Orozco Modesto , PLoS Comput Biol, 11, Volume 9, p.e1003354, (2013)

Non-coding recurrent mutations in chronic lymphocytic leukaemia., Puente, Xose S., Beà Sílvia, Valdés-Mas Rafael, Villamor Neus, Gutiérrez-Abril Jesús, Martín-Subero José I., Munar Marta, Rubio-Pérez Carlota, Jares Pedro, Aymerich Marta, et al. , Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)

Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia., Puente, Xose S., Pinyol Magda, Quesada Víctor, Conde Laura, Ordóñez Gonzalo R., Villamor Neus, Escaramis Georgia, Jares Pedro, Beà Sílvia, González-Díaz Marcos, et al. , Nature, 2011 Jul 7, Volume 475, p.101-5, (2011)

Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia., Quesada, Víctor, Conde Laura, Villamor Neus, Ordóñez Gonzalo R., Jares Pedro, Bassaganyas Laia, Ramsay Andrew J., Beà Sílvia, Pinyol Magda, Martínez-Trillos Alejandra, et al. , Nat Genet, 2012 Jan, Volume 44, p.47-52, (2012)

Deciphering the deformation modes associated with function retention and specialization in members of the Ras superfamily., Raimondi, Francesco, Orozco Modesto, and Fanelli Francesca , Structure, 2010 Mar 10, Volume 18, p.402-14, (2010)

Nucleotide binding switches the information flow in ras GTPases., Raimondi, Francesco, Portella Guillem, Orozco Modesto, and Fanelli Francesca , PLoS Comput Biol, 2011 Mar, Volume 7, p.e1001098, (2011)

Light on the structural communication in Ras GTPases., Raimondi, Francesco, Felline Angelo, Portella Guillem, Orozco Modesto, and Fanelli Francesca , J Biomol Struct Dyn, 2013, Volume 31, p.142-57, (2013)

Effects of cadmium and mercury on the upper part of skeletal muscle glycolysis in mice., Ramírez-Bajo, Maria José, de Atauri Pedro, Ortega Fernando, Westerhoff Hans V., Gelpí Josep Lluis, Centelles Josep J., and Cascante Marta , PLoS One, 2014, Volume 9, Issue 1, p.e80018, (2014)

Effects of cadmium and mercury on the upper part of skeletal muscle glycolysis in mice., Ramírez-Bajo, Maria José, de Atauri Pedro, Ortega Fernando, Westerhoff Hans V., Gelpí Josep Lluis, Centelles Josep J., and Cascante Marta , PLoS One, 2014, Volume 9, p.e80018, (2014)

Functional and structural characterization of the first prokaryotic member of the L-amino acid transporter (LAT) family: a model for APC transporters., Reig, Núria, del Rio César, Casagrande Fabio, Ratera Mercè, Gelpí Josep-Lluis, Torrents David, Henderson Peter J. F., Xie Hao, Baldwin Stephen A., Zorzano Antonio, et al. , J Biol Chem, 2007 May 4, Volume 282, p.13270-81, (2007)

BioSWR–semantic web services registry for bioinformatics., Repchevsky, Dmitry, and Gelpí Josep-Lluis , PLoS One, 2014, Volume 9, p.e107889, (2014)

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)

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)

Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution, Rubio-Cosials, Anna, Battistini Federica, Gansen Alexander, Cuppari Anna, Bernadó Pau, Orozco Modesto, Langowski Jörg, Tóth Katalin, and Solà Maria , Biophysical Journal, 05/2018, Volume 114, p.2386 - 2396, (2018)

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)

A consensus view of protein dynamics., Rueda, Manuel, Ferrer-Costa Carles, Meyer Tim, Pérez Alberto, Camps Jordi, Hospital Adam, Gelpí Josep-Lluis, and Orozco Modesto , Proc Natl Acad Sci U S A, 2007 Jan 16, Volume 104, p.796-801, (2007)

Nature of minor-groove binders-DNA complexes in the gas phase., Rueda, Manuel, F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2005 Aug 24, Volume 127, p.11690-8, (2005)

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)

G-quadruplexes can maintain their structure in the gas phase., Rueda, Manuel, F Luque Javier, and Orozco Modesto , J Am Chem Soc, 2006 Mar 22, Volume 128, p.3608-19, (2006)

Exploring the counterion atmosphere around DNA: what can be learned from molecular dynamics simulations?, Rueda, Manuel, Cubero Elena, Laughton Charles A., and Orozco Modesto , Biophys J, 2004 Aug, Volume 87, p.800-11, (2004)

Mutations in JMJD1C are involved in Rett syndrome and intellectual disability., Sáez, Mauricio A., Fernández-Rodríguez Juana, Moutinho Catia, Sanchez-Mut Jose V., Gomez Antonio, Vidal Enrique, Petazzi Paolo, Szczesna Karolina, Lopez-Serra Paula, Lucariello Mario, et al. , Genet Med, 2016 Apr, Volume 18, Issue 4, p.378-85, (2016)