211 citations · 277 across the 3 of their papers we have counts for
3 papers
Temperature transferable Machine Learned Coarse Grained model for proteins
Jacopo Venturin, Cecilia Clementi
Coarse-grained (CG) molecular simulations offer an efficient alternative to atomistic molecular dynamics to study large and complex biological systems. The accuracy of CG simulatio…
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…
How native state topology affects the folding of Dihydrofolate Reductase and Interleukin-1beta
Cecilia Clementi, Patricia A. Jennings, Jose' N. Onuchic
The overall structure of the transition state and intermediate ensembles experimentally observed for Dihydrofolate Reductase and Interleukin-1beta can be obtained utilizing simplif…