357 citations · 422 across the 4 of their papers we have counts for
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q-bio.BM2024★ 65 cited
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…
q-bio.BM2017
Comparison of Sampling Methods via Robust Free Energy Inference: Application to Calmodulin
Annie M. Westerlund, Tyler J. Harpole, Christian Blau +1
A free energy landscape estimation-method based on Bayesian inference is presented and used for comparing the efficiency of thermally enhanced sampling methods with respect to regu…