384 citations · 686 across the 9 of their papers we have counts for
3 papers · 1 filter
The mechanism of RNA base fraying: molecular dynamics simulations analyzed with core-set Markov state models
Giovanni Pinamonti, Fabian Paul, Frank Noé +2
The process of RNA base fraying (i.e. the transient opening of the termini of a helix) is involved in many aspects of RNA dynamics. We here use molecular dynamics simulations and M…
Estimating the intrinsic dimension of datasets by a minimal neighborhood information
Elena Facco, Maria d'Errico, Alex Rodriguez +1
Analyzing large volumes of high-dimensional data is an issue of fundamental importance in data science, molecular simulations and beyond. Several approaches work on the assumption…
Automatic topography of high-dimensional data sets by non-parametric Density Peak clustering
Maria d'Errico, Elena Facco, Alessandro Laio +1
Data analysis in high-dimensional spaces aims at obtaining a synthetic description of a data set, revealing its main structure and its salient features. We here introduce an approa…