Modesto Orozco

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Javier LuqueUniversity of Barcelona - Institut of BiomedicineVerified email at ub.edu
Josep Ll. GelpíProfessor of Biochemistry and Molecular Biology. University of Barcelona - BSC - INB - ELIXIR-ESVerified email at ub.edu
Alberto PerezUniversity of Florida, Department of ChemistryVerified email at chem.ufl.edu
Adam HOSPITALResearch Software Engineer, IRB BarcelonaVerified email at irbbarcelona.org
Pablo D. DansDepartment of Biological Sciences (CENUR Litoral Norte - UdelaR) & Institut Pasteur de MontevideoVerified email at pasteur.edu.uy
Carlos González (0000-0001-8796-1...Research Professor at CSIC.Verified email at iqfr.csic.es
Guillem PortellaAstraZenecaVerified email at astrazeneca.com
Xavier de La CruzIP Clinical and Translational Bioinformatics, Vall d'Hebron Institute of ResearchVerified email at vhir.org
Elena CuberoGain TherapeuticsVerified email at gaintherapeutics.com
Federica BattistiniPost doc, IRB Barcelona ; Prof. Associat UB BarcelonaVerified email at irbbarcelona.org
Manuel RuedaCentro Nacional de Análisis Genómico, CNAGVerified email at cnag.eu
Xavier BarrilICREA Research Professor, University of BarcelonaVerified email at ub.edu
Carles Ferrer-CostaHead of Bioinformatics at GendiagVerified email at gendiag.com
Ramon EritjaResearch Professor, IQAC-CSIC, CIBER-BBNVerified email at cid.csic.es
ROBERT SOLIVAPrincipal Data Scientist, AlmirallVerified email at almirall.com
Ramon GoniBarcelona supercomputing CenterVerified email at bsc.es
Agnes NoyUniversity of YorkVerified email at york.ac.uk
Ivan Ivani, PhDIRB BarcelonaVerified email at irbbarcelona.org
Tim MeyerUniversity Medical Center GöttingenVerified email at med.uni-goettingen.de
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahVerified email at utah.edu

Modesto Orozco

Professor of Biochemistry, Universtity of Barcelona and Group Leader IRB Barcelona

Verified email at irbbarcelona.org

Computational Biology Computational Chemistry Bioinformatics


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The tomato genome sequence provides insights into fleshy fruit evolution xx Tomato Genome Consortium Nature 485 (7400), 635, 2012	3379	2012
Refinement of the AMBER force field for nucleic acids: improving the description of α/γ conformers A Pérez, I Marchán, D Svozil, J Sponer, TE Cheatham, CA Laughton, ... Biophysical journal 92 (11), 3817-3829, 2007	2468	2007
Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia XS Puente, M Pinyol, V Quesada, L Conde, GR Ordóñez, N Villamor, ... Nature 475 (7354), 101-105, 2011	1953	2011
Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia V Quesada, L Conde, N Villamor, GR Ordóñez, P Jares, L Bassaganyas, ... Nature genetics 44 (1), 47-52, 2012	1288	2012
Non-coding recurrent mutations in chronic lymphocytic leukaemia XS Puente, S Beà, R Valdés-Mas, N Villamor, J Gutiérrez-Abril, ... Nature 526 (7574), 519-524, 2015	1069	2015
Perspective on “Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects” Miertus S … FJ Luque, JM López, M Orozco Theoretical Chemistry Accounts 103, 343-345, 2000	1004	2000
Parmbsc1: a refined force field for DNA simulations I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ... Nature methods 13 (1), 55-58, 2016	978	2016
Theoretical methods for the description of the solvent effect in biomolecular systems M Orozco, FJ Luque Chemical Reviews 100 (11), 4187-4226, 2000	770	2000
Molecular dynamics simulations: advances and applications A Hospital, JR Goñi, M Orozco, JL Gelpí Advances and Applications in Bioinformatics and Chemistry, 37-47, 2015	694	2015
Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia M Kulis, S Heath, M Bibikova, AC Queirós, A Navarro, G Clot, ... Nature genetics 44 (11), 1236-1242, 2012	688	2012
PMUT: a web-based tool for the annotation of pathological mutations on proteins C Ferrer-Costa, JL Gelpí, L Zamakola, I Parraga, X De La Cruz, M Orozco Bioinformatics 21 (14), 3176-3178, 2005	561	2005
Performance of molecular mechanics force fields for RNA simulations: stability of UUCG and GNRA hairpins P Banás, D Hollas, M Zgarbová, P Jurecka, M Orozco, TE Cheatham III, ... Journal of Chemical Theory and Computation 6 (12), 3836-3849, 2010	404	2010
Target flexibility: an emerging consideration in drug discovery and design P Cozzini, GE Kellogg, F Spyrakis, DJ Abraham, G Costantino, A Emerson, ... Journal of medicinal chemistry 51 (20), 6237-6255, 2008	375	2008
Tautomerism and protonation of guanine and cytosine. Implications in the formation of hydrogen-bonded complexes C Colominas, FJ Luque, M Orozco Journal of the American Chemical Society 118 (29), 6811-6821, 1996	370	1996
A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA R Lavery, K Zakrzewska, D Beveridge, TC Bishop, DA Case, ... Nucleic acids research 38 (1), 299-313, 2010	356	2010
Deficient endoplasmic reticulum-mitochondrial phosphatidylserine transfer causes liver disease MI Hernández-Alvarez, D Sebastián, S Vives, S Ivanova, P Bartoccioni, ... Cell 177 (4), 881-895. e17, 2019	324	2019
Is polarization important in cation-π interactions? E Cubero, FJ Luque, M Orozco Proceedings of the National Academy of Sciences 95 (11), 5976-5980, 1998	321	1998
Dynamics of B-DNA on the microsecond time scale A Pérez, FJ Luque, M Orozco Journal of the American Chemical Society 129 (47), 14739-14745, 2007	317	2007
Hydrogen bond versus anti-hydrogen bond: a comparative analysis based on the electron density topology E Cubero, M Orozco, P Hobza, FJ Luque The Journal of Physical Chemistry A 103 (32), 6394-6401, 1999	280	1999
Characterization of disease-associated single amino acid polymorphisms in terms of sequence and structure properties C Ferrer-Costa, M Orozco, X de la Cruz Journal of molecular biology 315 (4), 771-786, 2002	271	2002

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