Biblio

Residues Coevolution Guides the Systematic Identification of Alternative Functional Conformations in Proteins, Sfriso, Pedro, Duran-Frigola Miquel, Mosca Roberto, Emperador Agustí, Aloy Patrick, and Orozco Modesto , Structure, Volume 24, p.116 - 126, (2016)

Small Details Matter: The 2′-Hydroxyl as a Conformational Switch in RNA, Darré, Leonardo, Ivani Ivan, Dans Pablo D., Gómez Hansel, Hospital Adam, and Orozco Modesto , Journal of the American Chemical Society, 12/2016, Volume 138, Issue 50, p.16355 - 16363, (2016)

α1,4-N-Acetylhexosaminyltransferase EXTL2: The Missing Link for Understanding Glycosidic Bond Biosynthesis with Retention of Configuration, Mendoza, Fernanda, Gómez Hansel, Lluch José M., and Masgrau Laura , ACS Catalysis, 2016/04/01, Volume 6, Issue 4, p.2577 - 2589, (2016)

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)

Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study, Collepardo-Guevara, Rosana, Portella Guillem, Vendruscolo Michele, Frenkel Daan, Schlick Tamar, and Orozco Modesto , Journal of the American Chemical Society, 2015/08/19, Volume 137, Issue 32, p.10205 - 10215, (2015)

Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions., Signorelli, Santiago, Dans Pablo D., E Coitiño Laura, Borsani Omar, and Monza Jorge , PLoS One, 2015, Volume 10, p.e0115349, (2015)

A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)

Identification of risk loci for Crohn’s disease phenotypes using a genome-wide association study, Alonso, Arnald, Domènech Eugeni, Julià Antonio, Panés Julián, García-Sánchez Valle, Mateu Pilar Nos, Gutiérrez Ana, Gomollón Fernando, Mendoza Juan L., Garcia-Planella Esther, et al. , Gastroenterology, 2015 Apr, Volume 148, p.794-805, (2015)

Inntags: small self-structured epitopes for innocuous protein tagging., Georgieva, Maya V., Yahya Galal, Codó Laia, Ortiz Raúl, Teixidó Laura, Claros José, Jara Ricardo, Jara Mònica, Iborra Antoni, Gelpí Josep-Lluis, et al. , Nat Methods, 2015 Oct, Volume 12, p.955-8, (2015)

Molecular dynamics simulations: advances and applications., Hospital, Adam, J Goñi Ramon, Orozco Modesto, and Gelpí Josep-Lluis , Adv Appl Bioinform Chem, 2015, Volume 8, p.37-47, (2015)

Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins, Barbany, Montserrat, Meyer Tim, Hospital Adam, Faustino Ignacio, D’Abramo Marco, Morata Jordi, Orozco Modesto, and de la Cruz Xavier , PLoS ONE, 2015/03/27, Volume 10, p.e0119978 -, (2015)

A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase., Albesa-Jové, David, Mendoza Fernanda, Rodrigo-Unzueta Ane, Gomollón-Bel Fernando, Cifuente Javier O., Urresti Saioa, Comino Natalia, Gómez Hansel, Romero-García Javier, Lluch José M., et al. , Angew Chem Int Ed Engl, 2015 Aug 17, Volume 54, p.9898-902, (2015)

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)

PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems., Emperador, Agustí, Sfriso Pedro, Villarreal Marcos Ariel, Gelpí Josep-Lluis, and Orozco Modesto , J Chem Theory Comput, 2015 Dec 8, Volume 11, p.5929-38, (2015)

QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism, Gómez, Hansel, Mendoza Fernanda, Lluch José M., and Masgrau Laura , Advances in Protein Chemistry and Structural Biology, p.-, (2015)

QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism, Gómez, Hansel, Mendoza Fernanda, Lluch José M., and Masgrau Laura , Advances in Protein Chemistry and Structural Biology, Volume 100, p.-, (2015)

SEABED: Small molEcule activity scanner weB servicE baseD., Fenollosa, Carlos, Otón Marcel, Andrio Pau, Cortés Jorge, Orozco Modesto, and J Goñi Ramon , Bioinformatics, 2015 Mar 1, Volume 31, p.773-5, (2015)

Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties, Habibian, Maryam, Martínez-Montero Saúl, Portella Guillem, Chua Zhijie, D. Bohle Scott, Orozco Modesto, and Damha Masad J. , Organic Letters, 11/2015, Volume 17, Issue 21, p.5416 - 5419, (2015)

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)

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)

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)

Visualizing phosphodiester-bond hydrolysis by an endonuclease., Molina, Rafael, Stella Stefano, Redondo Pilar, Gómez Hansel, Marcaida María José, Orozco Modesto, Prieto Jesús, and Montoya Guillermo , Nat Struct Mol Biol, 2015 Jan, Volume 22, p.65-72, (2015)

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

Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads., Moncunill, Valentí, González Santi, Beà Sílvia, Andrieux Lise O., Salaverria Itziar, Royo Cristina, Martinez Laura, Puiggròs Montserrat, Segura-Wang Maia, Stütz Adrian M., et al. , Nat Biotechnol, 2014 Nov, Volume 32, p.1106-12, (2014)

A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2., Gómez, Hansel, Rojas Raúl, Patel Divya, Tabak Lawrence A., Lluch José M., and Masgrau Laura , Org Biomol Chem, 2014 May 7, Volume 12, p.2645-55, (2014)

Correlated motions are a fundamental property of B-sheets, R. Fenwick, Bryn, Orellana Laura, Esteban-Martí-n Santi, Orozco Modesto, and Salvatella Xavier , Nat Commun, 10/2014, Volume 5, (2014)

Direct measurement of the dielectric polarization properties of DNA., Cuervo, Ana, Dans Pablo D., Carrascosa José L., Orozco Modesto, Gomila Gabriel, and Fumagalli Laura , Proc Natl Acad Sci U S A, 2014 Sep 2, Volume 111, p.E3624-30, (2014)

The DNA-forming properties of 6-selenoguanine, Faustino, Ignacio, Curutchet Carles, F Luque Javier, and Orozco Modesto , Phys. Chem. Chem. Phys., Volume 16, p.1101-1110, (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)

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)

Fuzziness and noise in nucleosomal architecture., Flores, Oscar, Deniz Ozgen, Soler-López Montserrat, and Orozco Modesto , Nucleic Acids Res, 2014 Apr, Volume 42, p.4934-46, (2014)

A genome-wide association study identifies a novel locus at 6q22.1 associated with ulcerative colitis., Julià, Antonio, Domènech Eugeni, Chaparro María, García-Sánchez Valle, Gomollón Fernando, Panés Julián, Mañosa Míriam, de Acosta Manuel Barreiro-, Gutiérrez Ana, Garcia-Planella Esther, et al. , Hum Mol Genet, 2014 Dec 20, Volume 23, p.6927-34, (2014)

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)

Oncogenic mutations of the EGF-Receptor ectodomain reveal an unexpected mechanism for ligand-independent activation, Orellana, Laura, Hospital Adam, and Orozco Modesto , bioRxiv, 09/2014, (2014)

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)

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)

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

Unraveling the sequence-dependent polymorphic behavior of d(CpG) steps in B-DNA, Dans, Pablo D., Faustino Ignacio, Battistini Federica, Zakrzewska Krystyna, Lavery Richard, and Orozco Modesto , Nucleic Acid Research, 09/2014, (2014)

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)

Assessing the Accuracy of the SIRAH Force Field to Model DNA at Coarse Grain Level, Dans, Pablo Daniel, Darré Leonardo, Machado Matias R., Zeida Ari, Brandner Astrid F., and Pantano Sergio , Advances in Bioinformatics and Computational Biology, p.71–81, (2013)

Backbone FC-H···O hydrogen bonds in 2’F-substituted nucleic acids., Martín-Pintado, Nerea, Deleavey Glen F., Portella Guillem, Campos-Olivas Ramón, Orozco Modesto, Damha Masad J., and González Carlos , Angew Chem Int Ed Engl, 2013 Nov 11, Volume 52, p.12065-8, (2013)

The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors., Gracia, Eduard, Farré Daniel, Cortés Antoni, Ferrer-Costa Carles, Orozco Modesto, Mallol Josefa, Lluís Carme, Canela Enric I., McCormick Peter J., Franco Rafael, et al. , FASEB J, 2013 Mar, Volume 27, p.1048-61, (2013)

Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale., Islam, Barira, Sgobba Miriam, Laughton Charlie, Orozco Modesto, Sponer Jiri, Neidle Stephen, and Haider Shozeb , Nucleic Acids Res, 2013 Feb 1, Volume 41, p.2723-35, (2013)

The Conformational Landscape of an Intrinsically Disordered DNA-Binding Domain of a Transcription Regulator., Naganathan, Athi Narayanan, and Orozco Modesto , The Journal of Physical Chemistry B, 2013/00/15, (2013)

DASiR: Distributed Annotation System in R, Flores, Oscar, and Mantsoki Anna , (2013)

Dramatic effect of furanose C2’ substitution on structure and stability: directing the folding of the human telomeric quadruplex with a single fluorine atom., Martín-Pintado, Nerea, Yahyaee-Anzahaee Maryam, Deleavey Glen F., Portella Guillem, Orozco Modesto, Damha Masad J., and González Carlos , J Am Chem Soc, 2013 Apr 10, Volume 135, p.5344-7, (2013)

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)

Effect of zinc and calcium ions on the rat kidney membrane-bound form of dipeptidyl peptidase IV., Gómez, Hansel, Chappé Mae, Valiente Pedro A., Pons Tirso, Chávez María de Los Ang, Charli Jean-Louis, and Pascual Isel , J Biosci, 2013 Sep, Volume 38, p.461-9, (2013)

Efficient relaxation of protein-protein interfaces by discrete molecular dynamics simulations, Emperador, Agustí, Solernou Albert, Sfriso Pedro, Gelpí Josep-Lluis, Fernandez-Recio J, and Orozco Modesto , Journal of Chemical Theory and Computation, Volume 9, p.1222-1229, (2013)

Enzyme-directed mutasynthesis: a combined experimental and theoretical approach to substrate recognition of a polyketide synthase., Sundermann, Uschi, Bravo-Rodriguez Kenny, Klopries Stephan, Kushnir Susanna, Gómez Hansel, Sanchez-Garcia Elsa, and Schulz Frank , ACS Chem Biol, 2013 Feb 15, Volume 8, p.443-50, (2013)