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)

SEABED: Small molEcule activity scanner weB servicE baseD. - Carlos Fenollosa; Marcel Otón; Pau Andrio; Jorge Cortés 002; Modesto Orozco; Josep Ramón Goñi (Bioinform., 2015)

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data. - Adam Hospital; Pau Andrio; Cesare Cugnasco; Laia Codó; Yolanda Becerra 001; Pablo D. Dans; Federica Battistini; Jordi Torres; Josep Ramón Goñi; Modesto Orozco; Josep Lluis Gelpí (Nucleic Acids Res., 2016)

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. - Ardita Shkurti; Josep Ramón Goñi; Pau Andrio; Elena Breitmoser; Iain Bethune; Modesto Orozco; Charles A. Laughton (SoftwareX, 2016)

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 (e-Science, 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)

Making Canonical Workflow Building Blocks Interoperable across Workflow Languages. - Stian Soiland-Reyes; Genís Bayarri; Pau Andrio; Robin Long; Douglas Lowe; Ania Niewielska; Adam Hospital; Paul Groth (Data Intell., 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)

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)

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)