Size-and-Shape Space Gaussian Mixture Models for Structural Clustering of Molecular Dynamics Trajectories-Reference-Cited by-同舟云学术

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Size-and-Shape Space Gaussian Mixture Models for Structural Clustering of Molecular Dynamics Trajectories

Published:2022-04-28 Issue:5 Volume:18 Page:3218-3230
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Klem Heidi¹,Hocky Glen M.²^ORCID,McCullagh Martin³^ORCID

Affiliation:

1. Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523, United States

2. Department of Chemistry, New York University, New York, New York 10003, United States

3. Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078, United States

Funder

National Institute of Allergy and Infectious Diseases

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01290

Reference62 articles.

1. Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains

2. Robust Perron cluster analysis in conformation dynamics

3. Optimal dimensionality reduction of Markov chains using graph transformation

4. Comparing geometric and kinetic cluster algorithms for molecular simulation data

5. Clustering algorithms to analyze molecular dynamics simulation trajectories for complex chemical and biological systems

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4. Motif-VI loop acts as a nucleotide valve in the West Nile Virus NS3 Helicase;Nucleic Acids Research;2024-06-17

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