UMAP as a Dimensionality Reduction Tool for Molecular Dynamics Simulations of Biomacromolecules: A Comparison Study-Reference-Cited by-同舟云学术

UMAP as a Dimensionality Reduction Tool for Molecular Dynamics Simulations of Biomacromolecules: A Comparison Study

Published:2021-05-11 Issue:19 Volume:125 Page:5022-5034
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Trozzi Francesco¹^ORCID,Wang Xinlei²,Tao Peng¹^ORCID

Affiliation:

1. Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas 75275, United States

2. Department of Statistical Science, Southern Methodist University, Dallas, Texas 75275, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c02081

Reference69 articles.

1. Quantitative assessment of relationship between sequence similarity and function similarity

2. High-resolution mapping of protein sequence-function relationships

3. The relationship between protein structure and function: a comprehensive survey with application to the yeast genome

4. From protein structure to function

5. Exploring Protein Dynamics Space: The Dynasome as the Missing Link between Protein Structure and Function

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