Pau Andrio

11 papers B 1Journal 10
YearRankTypeTitle / Venue / Authors
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 J jnl
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages.
Data Intell.
Stian Soiland-Reyes, Genís Bayarri, Pau Andrio, Robin Long, Douglas Lowe, Ania Niewielska, Adam Hospital, Paul Groth
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
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
2016 J jnl
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data.
SoftwareX
Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton
2015 J jnl
SEABED: Small molEcule activity scanner weB servicE baseD.
Bioinform.
Carlos Fenollosa, Marcel Otón, Pau Andrio, Jorge Cortés, Modesto Orozco, Josep Ramón Goñi
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