Using Dimensionality Reduction to Analyze Protein Trajectories

Using Dimensionality Reduction to Analyze Protein Trajectories

In recent years the analysis of molecular dynamics trajectories using dimensionality reduction algorithms has become commonplace. These algorithms seek to find a low-dimensional representation of a trajectory that is, according to a well-defined criterion, optimal. A number of different strategies f...

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Bibliographic Details
Main Authors: Gareth A. Tribello, Piero Gasparotto
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-06-01
Series:Frontiers in Molecular Biosciences
Subjects:
molecular dynamics
dimensionality reduction
machine learning
trajectory analysis
computer simulation
clustering
Online Access:https://www.frontiersin.org/article/10.3389/fmolb.2019.00046/full

Internet

https://www.frontiersin.org/article/10.3389/fmolb.2019.00046/full

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