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2020 – today
- 2024
[j9]Genís Bayarri, Pau Andrio, Josep Lluis Gelpí, Adam Hospital
, Modesto Orozco:
Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows. PLoS Comput. Biol. 20(6): 1012173 (2024)- 2023
- [j8]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:
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. 63(1): 321-334 (2023) - 2022
- [j7]Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí:
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools. Bioinform. 38(12): 3302-3303 (2022) - [j6]Stian Soiland-Reyes, Genís Bayarri, Pau Andrio, Robin Long, Douglas Lowe, Ania Niewielska, Adam Hospital, Paul Groth:
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages. Data Intell. 4(2): 342-357 (2022) - [j5]Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí:
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations. Nucleic Acids Res. 50(W1): 99-107 (2022) - [c1]Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero, Daniele Lezzi, Josep Lluis Gelpí, Rosa M. Badia:
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows. e-Science 2022: 357-366 - [i1]Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero, Daniele Lezzi, Josep Lluis Gelpí, Rosa M. Badia:
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows. CoRR abs/2208.14130 (2022)
2010 – 2019
- 2016
- [j4]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:
BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data. Nucleic Acids Res. 44(Database-Issue): 272-278 (2016) - [j3]Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton:
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. SoftwareX 5: 44-50 (2016) - 2015
- [j2]Carlos Fenollosa, Marcel Otón, Pau Andrio, Jorge Cortés, Modesto Orozco, Josep Ramón Goñi:
SEABED: Small molEcule activity scanner weB servicE baseD. Bioinform. 31(5): 773-775 (2015) - 2012
- [j1]Adam Hospital, Pau Andrio, Carlos Fenollosa, Damjan Cicin-Sain, Modesto Orozco, Josep Lluis Gelpí:
MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations. Bioinform. 28(9): 1278-1279 (2012)
Coauthor Index
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