Josep Lluís Gelpí

26 papers B 1Misc 1Journal 21Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Identity resolution of software metadata using Large Language Models.
CoRR
Eva Martín del Pico, Josep Lluís Gelpí, Salvador Capella-Gutiérrez
2025 J jnl
The Software Observatory: aggregating and analysing software metadata for trend computation and FAIR assessment.
CoRR
Eva Martín del Pico, Josep Lluís Gelpí, Salvador Capella-Gutiérrez
2024 J jnl
FAIRsoft - a practical implementation of FAIR principles for research software.
Bioinform.
Eva Martín del Pico, Josep Lluís Gelpí, Salvador Capella-Gutiérrez
2024 J jnl
Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows.
PLoS Comput. Biol.
Genís Bayarri, Pau Andrio, Josep Lluís Gelpí, Adam Hospital, Modesto Orozco
2023 J jnl
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.
J. Chem. Inf. Model.
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
2022 J jnl
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools.
Bioinform.
Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluís Gelpí
2022 J jnl
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations.
Nucleic Acids Res.
Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluís Gelpí
2022 B conf
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows.
e-Science
Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero, Daniele Lezzi, Josep Lluís Gelpí, Rosa M. Badia
2022 J jnl
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows.
CoRR
Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero, Daniele Lezzi, Josep Lluís Gelpí, Rosa M. Badia
2020 J jnl
The Quest for Orthologs benchmark service and consensus calls in 2020.
Nucleic Acids Res.
Adrian M. Altenhoff, Javier Garrayo-Ventas, Salvatore Cosentino, David Emms, Natasha M. Glover, Ana Hernández-Plaza, Yannis Nevers, Vicky Sundesha, Damian Szklarczyk, José María Fernández, Laia Codó, Quest for Orthologs Consortium, Josep Lluís Gelpí, Jaime Huerta-Cepas, Wataru Iwasaki, Steven Kelly, Odile Lecompte, Matthieu Muffato, Maria Jesus Martin, Salvador Capella-Gutiérrez, Paul D. Thomas, Erik L. L. Sonnhammer, Christophe Dessimoz
2020 J jnl
Towards FAIR principles for research software.
Data Sci.
Anna-Lena Lamprecht, Leyla J. García, Mateusz Kuzak, Carlos Martinez-Ortiz, Ricardo Arcila, Eva Martín del Pico, Victoria Dominguez Del Angel, Stephanie van de Sandt, Jon C. Ison, Paula Andrea Martínez, Peter McQuilton, Alfonso Valencia, Jennifer L. Harrow, Fotis E. Psomopoulos, Josep Lluís Gelpí, Neil P. Chue Hong, Carole A. Goble, Salvador Capella-Gutiérrez
2018 — conf
Metadata to Describe Genomic Information.
MIE
Jaime Delgado, Daniel Naro, Silvia Llorente, Josep Lluís Gelpí, Romina Royo
2017 J jnl
Four simple recommendations to encourage best practices in research software.
F1000Research
Rafael C. Jiménez, Mateusz Kuzak, Monther Alhamdoosh, Michelle Barker, Bérénice Batut, Mikael Borg, Salvador Capella-Gutiérrez, Neil P. Chue Hong, Martin Cook, Manuel Corpas, Madison Flannery, Leyla J. García, Josep Lluís Gelpí, Simon L. Gladman, Carole A. Goble, Montserrat González Ferreiro, Alejandra N. González-Beltrán, Philippa C. Griffin, Björn A. Grüning, Jonas Hagberg, Petr Holub, Rob W. W. Hooft, Jon C. Ison, Daniel S. Katz, Brane Leskosek, Federico López-Gómez, Luis J. Oliveira, David Mellor, Rowland Mosbergen, Nicola J. Mulder, Yasset Pérez-Riverol, Robert Pergl, Horst Pichler, Bernard J. Pope, Ferran Sanz, Maria Victoria Schneider, Victoria Stodden, Radoslaw Suchecki, Radka Svobodová Vareková, Harry-Anton Talvik, Ilian T. Todorov, Andrew E. Treloar, Sonika Tyagi, Maarten van Gompel, Daniel Vaughan, Allegra Via, Xiaochuan Wang, Nathan S. Watson-Haigh, Steve Crouch
2017 J jnl
PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update.
Nucleic Acids Res.
Víctor López-Ferrando, Andrea M. Gazzo, Xavier de la Cruz, Modesto Orozco, Josep Lluís Gelpí
2016 J jnl
BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.
Nucleic Acids Res.
Adam Hospital, Pau Andrio, Cesare Cugnasco, Laia Codó, Yolanda Becerra, Pablo D. Dans, Federica Battistini, Jordi Torres, Josep Ramón Goñi, Modesto Orozco, Josep Lluís Gelpí
2013 J jnl
Exploring Early Stages of the Chemical Unfolding of Proteins at the Proteome Scale.
PLoS Comput. Biol.
Michela Candotti, Alberto Pérez, Carles Ferrer-Costa, Manuel Rueda, Tim Meyer, Josep Lluís Gelpí, Modesto Orozco
2013 J jnl
NAFlex: a web server for the study of nucleic acid flexibility.
Nucleic Acids Res.
Adam Hospital, Ignacio Faustino, Rosana Collepardo-Guevara, Carlos González, Josep Lluís Gelpí, Modesto Orozco
2012 J jnl
MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations.
Bioinform.
Adam Hospital, Pau Andrio, Carlos Fenollosa, Damjan Cicin-Sain, Modesto Orozco, Josep Lluís Gelpí
2010 Misc conf
Enabling HMMER for the Grid with COMP Superscalar.
ICCS
Enric Tejedor, Rosa M. Badia, Romina Royo, Josep Lluís Gelpí
2009 J jnl
FlexServ: an integrated tool for the analysis of protein flexibility.
Bioinform.
Jordi Camps, Oliver Carrillo, Agustí Emperador, Laura Orellana, Adam Hospital, Manuel Rueda, Damjan Cicin-Sain, Marco D'Abramo, Josep Lluís Gelpí, Modesto Orozco
2007 J jnl
A consensus view of protein dynamics.
Proc. Natl. Acad. Sci. USA
Manuel Rueda, Carles Ferrer-Costa, Tim Meyer, Alberto Pérez, Jordi Camps, Adam Hospital, Josep Lluís Gelpí, Modesto Orozco
2005 J jnl
PMUT: a web-based tool for the annotation of pathological mutations on proteins.
Bioinform.
Carles Ferrer-Costa, Josep Lluís Gelpí, Leire Zamakola, Ivan Parraga, Xavier de la Cruz, Modesto Orozco
2004 — conf
Comparison of Active Centers of Proteins: The Kinesin Family as a Test Case.
Spanish Bioinformatics Conference
Antoni Valencia, Martín Pérez, Adam Hospital, Joan Carles Fernández, Elena Manresa, Robert Soliva, Josep Lluís Gelpí, Modesto Orozco
2004 — conf
Hydration Free Energy in Macromolecules.
Spanish Bioinformatics Conference
Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluís Gelpí, F. Javier Luque, Modesto Orozco
2003 J jnl
Continuum and discrete calculation of fractional contributions to solvation free energy.
J. Comput. Chem.
Antonio Morreale, Josep Lluís Gelpí, F. Javier Luque, Modesto Orozco
2002 J jnl
Ligand-induced changes in the binding sites of proteins.
Bioinform.
Xavier Fradera, Xavier de la Cruz, Carlos H. Tomich P. Silva, Josep Lluís Gelpí, F. Javier Luque, Modesto Orozco