Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding-Reference-Cited by-同舟云学术

Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding

Published:2023-06-20 Issue:14 Volume:19 Page:4711-4727
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Appadurai Rajeswari¹^ORCID,Koneru Jaya Krishna²,Bonomi Massimiliano³^ORCID,Robustelli Paul²^ORCID,Srivastava Anand¹^ORCID

Affiliation:

1. Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka 560012, India

2. Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, United States

3. Structural Bioinformatics Unit, Department of Structural Biology and Chemistry, CNRS UMR 3528, C3BI, CNRS USR 3756, Institut Pasteur, Paris 75015, France

Funder

The Wellcome Trust DBT India Alliance

Science and Engineering Research Board

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.3c00224

Reference111 articles.

1. Protein Engineering

2. Tinkering with Enzymes: What Are We Learning?

3. Introduction: Molecular Recognition

4. Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get”

5. The role of dynamic conformational ensembles in biomolecular recognition

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