Josep Lluis Gelpí

According to our database, Josep Lluis Gelpí authored at least 22 papers between 2002 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows.

Genís Bayarri, Pau Andrio, Josep Lluis Gelpí, Adam Hospital, Modesto Orozco

PLoS Comput. Biol., 2024

2023

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.

Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluis Gelpí, Modesto Orozco

J. Chem. Inf. Model., 2023

2022

BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations.

Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí

Nucleic Acids Res., 2022

BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools.

Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí

Bioinform., 2022

The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows.

Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero, Daniele Lezzi, Josep Lluis Gelpí, Rosa M. Badia

Proceedings of the 18th IEEE International Conference on e-Science, 2022

2020

The Quest for Orthologs benchmark service and consensus calls in 2020.

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, The Quest for Orthologs Consortium, Josep Lluis 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

Nucleic Acids Res., 2020

Towards FAIR principles for research software.

Anna-Lena Lamprecht, Leyla J. García, Mateusz Kuzak, Carlos Martinez-Ortiz, Ricardo Arcila, Eva Martin 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 Lluis Gelpí, Neil P. Chue Hong, Carole A. Goble, Salvador Capella-Gutiérrez

Data Sci., 2020

2018

Metadata to Describe Genomic Information.

Jaime Delgado, Daniel Naro, Silvia Llorente, Josep Lluis Gelpí, Romina Royo

Proceedings of the Building Continents of Knowledge in Oceans of Data: The Future of Co-Created eHealth, 2018

2017

PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update.

Víctor López-Ferrando, Andrea M. Gazzo, Xavier de la Cruz, Modesto Orozco, Josep Lluis Gelpí

Nucleic Acids Res., 2017

Four simple recommendations to encourage best practices in research software.

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 Lluis 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

F1000Research, 2017

2016

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

Adam Hospital, Pau Andrio, Cesare Cugnasco, Laia Codó, Yolanda Becerra, Pablo D. Dans, Federica Battistini, Jordi Torres, Josep Ramón Goñi, Modesto Orozco, Josep Lluis Gelpí

Nucleic Acids Res., 2016

2013

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

Michela Candotti, Alberto Pérez, Carles Ferrer-Costa, Manuel Rueda, Tim Meyer, Josep Lluis Gelpí, Modesto Orozco

PLoS Comput. Biol., 2013

NAFlex: a web server for the study of nucleic acid flexibility.

Adam Hospital, Ignacio Faustino, Rosana Collepardo-Guevara, Carlos González, Josep Lluis Gelpí, Modesto Orozco

Nucleic Acids Res., 2013

2012

MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations.

Adam Hospital, Pau Andrio, Carlos Fenollosa, Damjan Cicin-Sain, Modesto Orozco, Josep Lluis Gelpí

Bioinform., 2012

2010

Enabling HMMER for the Grid with COMP Superscalar.

Enric Tejedor, Rosa M. Badia, Romina Royo, Josep Lluis Gelpí

Proceedings of the International Conference on Computational Science, 2010

2009

FlexServ: an integrated tool for the analysis of protein flexibility.

Jordi Camps, Oliver Carrillo, Agustí Emperador, Laura Orellana, Adam Hospital, Manuel Rueda, Damjan Cicin-Sain, Marco D'Abramo, Josep Lluis Gelpí, Modesto Orozco

Bioinform., 2009

2007

A consensus view of protein dynamics.

Manuel Rueda, Carles Ferrer-Costa, Tim Meyer, Alberto Pérez, Jordi Camps, Adam Hospital, Josep Lluis Gelpí, Modesto Orozco

Proc. Natl. Acad. Sci. USA, 2007

2005

PMUT: a web-based tool for the annotation of pathological mutations on proteins.

Carles Ferrer-Costa, Josep Lluis Gelpí, Leire Zamakola, Ivan Parraga, Xavier de la Cruz, Modesto Orozco

Bioinform., 2005

2004

Comparison of Active Centers of Proteins: The Kinesin Family as a Test Case.

Antoni Valencia, Martín Pérez, Adam Hospital, Joan Carles Fernández, Elena Manresa, Robert Soliva, Josep Lluis Gelpí, Modesto Orozco

Proceedings of the 5th Annual Spanish Bioinformatics Conference, Barcelona, Catalonia, 2004

Hydration Free Energy in Macromolecules.

Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco

Proceedings of the 5th Annual Spanish Bioinformatics Conference, Barcelona, Catalonia, 2004

2003

Continuum and discrete calculation of fractional contributions to solvation free energy.

Antonio Morreale, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco

J. Comput. Chem., 2003

2002

Ligand-induced changes in the binding sites of proteins.

Xavier Fradera, Xavier de la Cruz, Carlos H. Tomich P. Silva, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco

Bioinform., 2002