Our vision

A single database for molecular dynamics simulations

Molecular dynamics (MD) simulations have a great potential for advancing our understanding of complex biological systems. However, the field faces the immense challenge of managing the vast amount of data generated in these computational experiments.

Our project aims to address this unmet need by creating the first unified database for MD simulations, providing a platform for scientists to share, access, and build upon each other’s work, thereby accelerating discovery and innovation in the field.

Our goals

Setting the stage for collaborative research

Establish a platform that adheres to the FAIR principles for molecular simulation data.

Promote collaboration and integrate MD data into the life sciences ecosystem.

Define good practices for generating and analysing trajectories.

Enhance the value and impact of MD simulations in various fields of research.

Our approach

Bridging the gap between research fields

At MDDB we will build a European infrastructure that serves a wide range of communities, from biophysics, bioinformatics and genomics to structural biochemistry and medicinal chemistry. Our multidisciplinary consortium will work to ensure that our database is a reliable and accessible resource providing valuable information from carefully selected and validated MD simulations.

By improving protocols, ensuring interoperability, and tailoring analysis processes to the interests of all communities using MDs, we are making research more efficient and inclusive, fostering collaboration and innovation across disciplines.