Publications
The need to implement FAIR principles in biomolecular simulations
Rommie E. Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltran, Philip C. Biggin, Massimiliano Bonomi, Gregory R. Bowman, Richard A. Bryce, Giovanni Bussi, Paolo Carloni, David A. Case, Andrea Cavalli, Chie-En A. Chang, Thomas E. Cheatham III, Margaret S. Cheung, Cristophe Chipot, Lillian T. Chong, (...), Modesto Orozco
Nature Methods. 2025
https://doi.org/10.1038/s41592-025-02635-0
MD-DATA: the legacy of the ABC Consortium
Adam Hospital, Modesto Orozco
Biophysical Reviews. 2024
https://doi.org/10.1007/s12551-024-01197-3
A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort
Daniel Beltrán, Adam Hospital, Josep Lluís Gelpí, Modesto Orozco
Nucleic Acids Research 52(D1):D393–D403. 2024
https://doi.org/10.1093/nar/gkad991
Deliverables
D1.1: Specification on file format, metadata and provenance record requirements
February 28, 2024 View
D2.1: Report on the evaluation of requirements and technical alternatives
March 11, 2024 View
D3.1: Interim report on the specific technical requirements and strategies used on the pilot cases
February 29, 2024 View
D4.1: Data management plan
August 31, 2023 View
D4.2: Dissemination, communication and stakeholder engagement plan
October 20, 2023 View
D4.3: Preliminary report on sustainability models for the MDDB infrastructure
April 4, 2024 View
D5.1: Project handbook
July 25, 2023 View
D5.2: Website and communication tools
June 30, 2023 View
D5.3: First policy brief
March 28, 2024 View