MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories. Biophysical Journal, (109)8:1528 -- 1532, 2015. [PUMA: forschungsdaten molecularSimulation software]
Semantic Interoperability and Characterization of Data Provenance in Computational Molecular Engineering. Journal of Chemical & Engineering Data, (65)3:1313--1329, American Chemical Society (ACS), December 2019. [PUMA: forschungsdaten hpc-computing metadata molecularSimulation ontologie] URL
DCMS: A data analytics and management system for molecular simulation. Journal of Big Data, (2)1:9, Nov 26, 2014. [PUMA: imported molecularSimulation obib] URL
DSMM: a database of simulated molecular motions. Nucleic Acids Res, (31)2003. [PUMA: imported molecularSimulation] URL
BioSimGrid: grid-enabled biomolecular simulation data storage and analysis. Future Generation Comput Systs, (22)2006. [PUMA: imported molecularSimulation] URL
Dynameomics: a comprehensive database of protein dynamics. Structure, (18)2010. [PUMA: imported molecularSimulation] URL
Large scale distributed data repository: design of a molecular dynamics trajectory database. Future Generation Comput Syst, (16)1999. [PUMA: imported molecularSimulation] URL
VMD: visual molecular dynamics. J Mol Graph, (14)1996. [PUMA: imported molecularSimulation] URL
Efficient provenance storage. ACM, Vancouver, BC, Canada, 2008. [PUMA: imported molecularSimulation]
MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. J Comput Chem, (32)2011. [PUMA: imported molecularSimulation] URL