All Stories

  1. Towards FAIR principles for research software

    Article • Data Science, June 2020, IOS Press

    Mateusz Kuzak, Professor Josep Ll. Gelpi, Mr Neil P Chue Hong, Prof Carole A Goble, Anna-Lena Lamprecht, Paula Andrea Martinez

  2. Four simple recommendations to encourage best practices in research software

    Article • F1000Research, June 2017, Faculty of 1000, Ltd.

    Dr Monther Alhamdoosh, Mr Rafael C Jimenez, Mr Neil P Chue Hong, Professor Josep Ll. Gelpi, Prof Carole A Goble, Rob Hooft, Daniel S Katz, Mr Federico López Gómez, Dr Sonika Tyagi, Sonika Tyagi, Mateusz Kuzak, Allegra Via, Xiaochuan (Harry) Wang, Montserrat Gonzalez, Björn Grüning, Andrew Treloar, Nathan Watson-Haigh, Dr. Yasset Perez-Riverol

  3. PACSAB: Coarse-Grained Force Field for the Study of Protein–Protein Interactions and Conformational Sampling in Multiprotein Systems

    Article • Journal of Chemical Theory and Computation, December 2015, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  4. BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

    Article • Nucleic Acids Research, November 2015, Oxford University Press (OUP)

    Professor Josep Ll. Gelpi

  5. Parmbsc1: a refined force field for DNA simulations

    Article • Nature Methods, November 2015, Nature

    Professor Josep Ll. Gelpi, Dr Alberto Perez, Professor Michele Vendruscolo

  6. Molecular dynamics simulations: advances and applications

    Article • Advances and Applications in Bioinformatics and Chemistry, November 2015, Dove Medical Press

    Professor Josep Ll. Gelpi

  7. Inntags: small self-structured epitopes for innocuous protein tagging

    Article • Nature Methods, August 2015, Nature

    Professor Josep Ll. Gelpi

  8. Non-coding recurrent mutations in chronic lymphocytic leukaemia

    Article • Nature, July 2015, Nature

    Professor Josep Ll. Gelpi

  9. Mutations in JMJD1C are involved in Rett syndrome and intellectual disability

    Article • Genetics in Medicine, July 2015, Nature

    Professor Josep Ll. Gelpi

  10. A deletion atADAMTS9-MAGI1locus is associated with psoriatic arthritis risk

    Article • Annals of the Rheumatic Diseases, May 2015, BMJ

    Professor Josep Ll. Gelpi, M.D.,Ph.D. Rubén Queiro, Professor Antonio Fernandez-Nebro

  11. Identification of Risk Loci for Crohn’s Disease Phenotypes Using a Genome-Wide Association Study

    Article • Gastroenterology, April 2015, Elsevier

    Professor Josep Ll. Gelpi, Professor Jaume Bertranpetit

  12. Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads

    Article • Nature Biotechnology, October 2014, Nature

    Professor Josep Ll. Gelpi

  13. BioSWR – Semantic Web Services Registry for Bioinformatics

    Article • PLoS ONE, September 2014, PLOS

    Professor Josep Ll. Gelpi

  14. Tu1943a A Genome-Wide Association Study Identifies DSE-FAM26F As a Risk Locus for Ulcerative Colitis

    Article • Gastroenterology, May 2014, Elsevier

    Professor Josep Ll. Gelpi

  15. Exploring Early Stages of the Chemical Unfolding of Proteins at the Proteome Scale

    Article • PLoS Computational Biology, December 2013, PLOS

    Professor Josep Ll. Gelpi, Dr Alberto Perez

  16. Efficient Relaxation of Protein–Protein Interfaces by Discrete Molecular Dynamics Simulations

    Article • Journal of Chemical Theory and Computation, February 2013, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  17. High-throughput molecular dynamics simulations: toward a dynamic view of macromolecular structure

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, February 2013, Wiley

    Professor Josep Ll. Gelpi

  18. Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations

    Article • Journal of Chemical Theory and Computation, November 2012, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  19. Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia

    Article • Nature Genetics, October 2012, Nature

    Panagiotis Papasaikas, Professor Josep Ll. Gelpi

  20. Unveiling Case-Control Relationships in Designing a Simple and Powerful Method for Detecting Gene-Gene Interactions

    Article • Genetic Epidemiology, August 2012, Wiley

    Professor Josep Ll. Gelpi

  21. Evidence for Transcript Networks Composed of Chimeric RNAs in Human Cells

    Article • PLoS ONE, January 2012, PLOS

    Professor Josep Ll. Gelpi

  22. Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia

    Article • Nature Genetics, December 2011, Nature

    Professor Josep Ll. Gelpi

  23. Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia

    Article • Nature, June 2011, Nature

    Professor Josep Ll. Gelpi

  24. MoDEL (Molecular Dynamics Extended Library): A Database of Atomistic Molecular Dynamics Trajectories

    Article • Structure, November 2010, Elsevier

    Professor Josep Ll. Gelpi, Dr Alberto Perez, Marco D'Abramo

  25. Enabling HMMER for the Grid with COMP Superscalar

    Article • Procedia Computer Science, May 2010, Elsevier

    Professor Josep Ll. Gelpi

  26. A consensus view of protein dynamics

    Article • Proceedings of the National Academy of Sciences, January 2007, Proceedings of the National Academy of Sciences

    Professor Josep Ll. Gelpi, Dr Alberto Perez

  27. Dissection of the Recognition Properties of p38 MAP Kinase. Determination of the Binding Mode of a New Pyridinyl−Heterocycle Inhibitor Family

    Article • Journal of Medicinal Chemistry, January 2007, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  28. A fast method for the determination of fractional contributions to solvation in proteins

    Article • Protein Science, November 2006, Wiley

    Professor Josep Ll. Gelpi

  29. Partition of protein solvation into group contributions from molecular dynamics simulations

    Article • Proteins Structure Function and Bioinformatics, October 2004, Wiley

    Professor Josep Ll. Gelpi

  30. Linear response theory: An alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

    Article • Proteins Structure Function and Bioinformatics, July 2004, Wiley

    Professor Josep Ll. Gelpi

  31. Cystinuria-specific rBAT(R365W) mutation reveals two translocation pathways in the amino acid transporter rBAT-b0,+AT

    Article • Biochemical Journal, February 2004, Portland Press Ltd.

    Professor Josep Ll. Gelpi

  32. Four-Stranded DNA Structure Stabilized by a Novel G:C:A:T Tetrad

    Article • Journal of the American Chemical Society, May 2003, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  33. Contribution of engineered electrostatic interactions to the stability of cytosolic malate dehydrogenase

    Article • Protein Engineering Design and Selection, November 2001, Oxford University Press (OUP)

    Professor Josep Ll. Gelpi

  34. Theoretical Study of the Mechanisms of Substrate Recognition by Catalase

    Article • Journal of the American Chemical Society, October 2001, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  35. Adenovirus-mediated wt-p16 reintroduction induces cell cycle arrest or apoptosis in pancreatic cancer

    Article • Cancer Gene Therapy, October 2001, Nature

    Professor Josep Ll. Gelpi

  36. Effect of several anions on the activity of mitochondrial malate dehydrogenase from pig heart

    Article • Journal of Molecular Catalysis B Enzymatic, January 2001, Elsevier

    Professor Josep Ll. Gelpi

  37. Glutaryl-CoA Dehydrogenase Deficiency in Spain: Evidence of Two Groups of Patients, Genetically, and Biochemically Distinct

    Article • Pediatric Research, September 2000, Nature

    Professor Josep Ll. Gelpi

  38. Replacement of terminal cysteine with histidine in the metallothionein α and β domains maintains its binding capacity

    Article • European Journal of Biochemistry, January 1999, Wiley

    Professor Josep Ll. Gelpi

  39. α‐thalassaemia due to a single codon deletion in the α‐1‐globin gene. Computational structural analysis of the new α‐chain variant

    Article • Human Mutation, January 1998, Wiley

    Professor Josep Ll. Gelpi

  40. α-thalassaemia due to a single codon deletion in the α-1-globin gene. Computational structural analysis of the new α-chain variant

    Article • Human Mutation, January 1998, Wiley

    Professor Josep Ll. Gelpi

  41. D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- I. Kinetic Mechanism and pH Dependence of Kinetic Parameters, Coenzyme Binding and Substrate Inhibition

    Article • European Journal of Biochemistry, February 1997, Wiley

    Professor Josep Ll. Gelpi

  42. D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- II. Mutagenic analysis of catalytically important residues

    Article • European Journal of Biochemistry, February 1997, Wiley

    Professor Josep Ll. Gelpi

  43. Cloning, sequencing and functional expression of a DNA encoding pig cytosolic malate dehydrogenase: purification and characterization of the recombinant enzyme

    Article • Gene, June 1996, Elsevier

    Professor Josep Ll. Gelpi

  44. A theoretical approach to the discrimination and characterization of the different classes of reversible inhibitors

    Article • Journal of Chemical Education, October 1993, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  45. Electrostatic interaction energies in lactate dehydrogenase catalysis

    Article • Journal of the Chemical Society Faraday Transactions, January 1993, Royal Society of Chemistry

    Professor Josep Ll. Gelpi

  46. Construction of a stable dimer of Bacillus stearothermophilus lactate dehydrogenase

    Article • Biochemistry, September 1992, American Chemical Society (ACS)

    Professor Josep Ll. Gelpi

  47. Comparative analysis of the binding of multiple forms of mitochondrial malate dehydrogenase to the inner membrane of the mitochondria

    Article • Biochemical Society Transactions, February 1991, Portland Press Ltd.

    Professor Josep Ll. Gelpi

  48. Nature of artifactual bands in the electropherograms of malate dehydrogenase isoenzymes

    Article • Biochemical Education, October 1990, Elsevier

    Professor Josep Ll. Gelpi

  49. KINEXP: Computer simulaton in enzyme kinetics

    Article • Biochemical Education, October 1988, Elsevier

    Professor Josep Ll. Gelpi