rare Namespace Reference

-event-detection More...

Detailed Description

-event-detection

Use Non-Negative Matrix Factorization to identify conformational transitions.
Intended for use with proteins. Based on Plante and Weinstein's Ligand-Dependent
Conformational Transitions in Molecular Dynamics Trajectories of GPCRs Revealed
by a New Machine Learning Rare Event Detection Protocol, Molecules, 2021,
https://doi.org/10.3390/molecules26103059
Grace Julien 2021