1 citations · 1 across the 1 of their papers we have counts for
2 papers
cs.DC2024★ 1 cited
Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation
Thomas Löhr, Michele Assante, Michael Dodds +5
Many computational chemistry and molecular simulation workflows can be expressed as graphs. This abstraction is useful to modularize and potentially reuse existing components, as w…
q-bio.QM2019
A practical guide to the simultaneous determination of protein structure and dynamics using metainference
Thomas Löhr, Carlo Camilloni, Massimiliano Bonomi +1
Accurate protein structural ensembles can be determined with metainference, a Bayesian inference method that integrates experimental information with prior knowledge of the system…