Molecular Dynamics Data Bank. The European Repository for Biosimulation Data

Project Information

MDDB

Grant agreement ID: 101094651

DOI 10.3030/101094651

EC signature date 1 December 2022

Start date 1 March 2023

End date 28 February 2026

Funded under

• Research infrastructures

Total cost € 2 649 627,50

EU contribution € 2 649 626,50

Coordinated by

FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)
Spain

Deliverables

Documents, reports (8)

Report on the evaluation of requirements and technical alternatives

Requirements gathered, existing databases, and community feedback, and plan to define and test technical alternatives to address them.

Data Management Plan

Project initial data management plan

Specification of file format, metadata and provenance record requirements

Technical report describing the requirements from the community, major codes and infrastructure database for efficient compressed storage and interoperability.

Dissemination, communication and stakeholder engagement plan

Report describing the training, and dissemination and communication activities planned by the project, including a list of foreseen workshops, community meetings, webinars, publications and other activities, their foreseen topics and target audiences.

Project Handbook

Report containing operational information such as project management structure, reporting procedures, communication protocols, document templates, etc. Procedures for internal communication, risk monitoring, decision-making.

Preliminary report on sustainability models for the MDDB infrastructure

Report with information on the methodology envisaged by MDDB to design the sustainability model, including outcomes from discussions held with relevant stakeholders and potential alternatives for the infrastructure sustainability model.

First policy brief

Short policy brief on the needs of end user communities and the data management and technical solutions explored by MDDB.

Interim report on the specific technical requirements and strategies used on the pilot cases

Preliminary comparative analysis on technical requirements and technical solutions, data management procedures in practice in the present DB projects

Websites, patent fillings, videos etc. (1)

Website and communication tools

Project website and main communication tools in operation

Publications

Peer reviewed articles (2)

MD-DATA: the legacy of the ABC Consortium

Author(s): Adam Hospital, Modesto Orozco
Published in: Biophysical Reviews, 2024, ISSN 1867-2469
Publisher: Springer
DOI: 10.1007/s12551-024-01197-3

A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort

Author(s): Daniel Beltrán, Adam Hospital, Josep Lluís Gelpí, Modesto Orozco
Published in: Nucleic Acids Research, Issue 52, 2024, ISSN 1362-4962
Publisher: Oxford University Press
DOI: 10.1093/nar/gkad991