@inbook{d2f092a61ffa4748a46766b9ce22a44d,
title = "Using Data-Reduction Techniques to Analyze Biomolecular Trajectories",
abstract = "This chapter discusses the way in which dimensionality reduction algorithms such as diffusion maps and sketch-map can be used to analyze molecular dynamics trajectories. The first part discusses how these various algorithms function as well as practical issues such as landmark selection and how these algorithms can be used when the data to be analyzed comes from enhanced sampling trajectories. In the later part a comparison between the results obtained by applying various algorithms to two sets of sample data is performed and discussed. This section is then followed by a summary of how one algorithm in particular, sketch-map, has been applied to a range of problems. The chapter concludes with a discussion on the directions that we believe this field is currently moving.",
keywords = "Data analysis, Dimensionality reduction, Molecular dynamics, Sketch-map",
author = "Tribello, {Gareth A.} and Piero Gasparotto",
year = "2019",
month = jul,
day = "1",
doi = "arXiv:1907.04170",
language = "English",
series = "Methods in Molecular Biology",
publisher = "Humana Press Inc.,U.S.",
pages = "453--502",
booktitle = "Methods in Molecular Biology",
}