Simulating networks of DNA nanomotifs

This record contains: -Scripts to parameterise bead-spring models of DNA nanomotifs using Bayesian optimisation -Scripts to run simulations using oxDNA or ReaDDy -Scripts to evaluate nanomotif structure, networking and rheological properties -oxDNA trajectories of single and paired DNA nanomotifs, obtained with umbrella sampling and MD simulations -ReaDDy trajectories of single, pairs and large networks of nanomotifs obtained with MD simulations -Version 2 includes treatment of Rouse and Zimm models and includes 3-armed nanomotifs -Version 3 includes additional validations, corrections, and analysis of additional graph-based rheology predictors Generation and analysis of the data was supported by the Helmholtz Association program Natural, Artificial and Cognitive Information Processing, the Helmholtz Initiative and Networking Fund on the HAICORE@KIT partition and by funding from the Carl-Zeiss-Stiftung via the Center SynGen.