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7 papers · 1 filter
Enhanced Spatial Clustering of Single-Molecule Localizations with Graph Neural Networks
Jesús Pineda, Sergi Masó-Orriols, Montse Masoliver +4
Single-molecule localization microscopy generates point clouds corresponding to fluorophore localizations. Spatial cluster identification and analysis of these point clouds are cru…
Modelling Population-Level Hes1 Dynamics: Insights from a Multi-Framework Approach
Gesina Menz, Stefan Engblom
Mathematical models of living cells have been successively refined with advancements in experimental techniques. A main concern is striking a balance between modelling power and th…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability
Andrey Alekseenko, Szilárd Páll, Erik Lindahl
GROMACS is a widely-used molecular dynamics software package with a focus on performance, portability, and maintainability across a broad range of platforms. Thanks to its early al…
Enabling Global Image Data Sharing in the Life Sciences
Peter Bajcsy, Sreenivas Bhattiprolu, Katy Boerner +20
Coordinated collaboration is essential to realize the added value of and infrastructure requirements for global image data sharing in the life sciences. In this White Paper, we tak…
Harmonizing the Generation and Pre-publication Stewardship of FAIR Image Data
Nikki Bialy, Frank Alber, Brenda Andrews +44
Alongside molecular insights into genes and proteins, biological imaging holds great promise for deepening scientific understanding of complex cellular systems and advancing predic…