Pau Andrio

According to our database, Pau Andrio authored at least 10 papers between 2012 and 2024.

Collaborative distances:

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

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

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 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

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

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

2015

SEABED: Small molEcule activity scanner weB servicE baseD.

Carlos Fenollosa, Marcel Otón, Pau Andrio, Jorge Cortés, Modesto Orozco, Josep Ramón Goñi

Bioinform., 2015

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