<?xml version="1.0" encoding="UTF-8"?><ns2:project xmlns:ns1="http://gtr.rcuk.ac.uk/gtr/api" xmlns:ns2="http://gtr.rcuk.ac.uk/gtr/api/project" xmlns:ns3="http://gtr.rcuk.ac.uk/gtr/api/fund" xmlns:ns4="http://gtr.rcuk.ac.uk/gtr/api/person" xmlns:ns5="http://gtr.rcuk.ac.uk/gtr/api/project/outcome" xmlns:ns6="http://gtr.rcuk.ac.uk/gtr/api/organisation" ns1:created="2026-07-08T08:44:08Z" ns1:href="http://gtr.ukri.org/gtr/api/projects/72FD1569-24E9-4B70-BB78-0E2976326F9C" ns1:id="72FD1569-24E9-4B70-BB78-0E2976326F9C"><ns1:links><ns1:link ns1:href="http://gtr.ukri.org/gtr/api/persons/75602D94-B495-41EB-BB57-9926F2FA0990" ns1:rel="PM_PER"/><ns1:link ns1:href="http://gtr.ukri.org/gtr/api/organisations/FE0AD965-17C1-4602-BF76-D6CDC97A387F" ns1:rel="LEAD_ORG"/><ns1:link ns1:href="http://gtr.ukri.org/gtr/api/organisations/FE0AD965-17C1-4602-BF76-D6CDC97A387F" ns1:rel="PARTICIPANT_ORG"/><ns1:link ns1:end="2026-08-30T23:00:00Z" ns1:href="http://gtr.ukri.org/gtr/api/funds/DCDF9BCB-F22E-4ED6-80DF-E01AF070734E" ns1:rel="FUND" ns1:start="2023-03-01T00:00:00Z"/></ns1:links><ns2:identifiers><ns2:identifier ns2:type="RCUK">10066542</ns2:identifier></ns2:identifiers><ns2:title>Molecular Dynamics Data Bank. The European Repository for Biosimulation Data</ns2:title><ns2:status>Active</ns2:status><ns2:grantCategory>EU-Funded</ns2:grantCategory><ns2:leadFunder>Horizon Europe Guarantee</ns2:leadFunder><ns2:abstractText>After decades of development and a Nobel prize, Molecular Dynamics(MD) hasreached maturity. It is no longer an exotic technique used by a small group of theoreticians but rather a method extensively used by a very large community of users. Millions of supercomputer hours are devoted to collecting trajectories, thus producing a deluge of simulation data that the community is unable to handle. A poor tradition of data sharing and the lack of appropriate infrastructures to do so lead to the loss of data after limited analysis that most likely revealed only a small fraction of the information contained. Sparse initiativesto build trajectory repositories have encountered difficulties related to: i) the lack of trust of the community in the reliability of the data deposited; ii) the lack of interoperable standards and simulation ontologies; iii) uncertainties regarding the database technology required; v) difficulties of the users to interact in an open manner with the data; and vi) disconnection of the MD-field with neighboring communities. The MDDB projects intends to design a European-scale repository of MD simulation (and associated analysis tools), which will: i) optimize computational resources; ii) favor the analysis (and meta-analysis) of trajectories for many different perspectives and fields; iii) guarantee a fast and efficient interchange of information between groups; and iv) facilitate the integration of the MD simulation field into neighboring communities. The overall result will be a more efficient use of MD and the integration of the MD field into mainstream biology and chemistry research.</ns2:abstractText></ns2:project>