19 citations · 28 across the 3 of their papers we have counts for
4 papers · 1 filter
Ab initio RNA folding
Tristan Cragnolini, Philippe Derreumaux, Samuela Pasquali
RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, expe…
The coarse-grained HiRE-RNA model for de novo calculations of RNA free energy surfaces, folding pathways and complex structure prediction
Tristan Cragnolini, Yoann Laurin, Philippe Derreumaux +1
HiRE-RNA is a simplified, coarse-grained RNA model for the prediction of equilibrium configurations, dynamics and thermodynamics. Using a reduced set of particles and detailed inte…
Coarse-grained simulations of RNA and DNA duplexes
Tristan Cragnolini, Philippe Derreumaux, Samuela Pasquali
Although RNAs play many cellular functions little is known about the dynamics and thermodynamics of these molecules. In principle, all-atom molecular dynamics simulations can inves…
Complex folding pathways in a simple beta-hairpin
Guanghong Wei, Normand Mousseau, Philippe Derreumaux
The determination of the folding mechanisms of proteins is critical to understand the topological change that can propagate Alzheimer and Creutzfeld-Jakobs diseases, among others.…