Are Protein Conformational Ensembles in Agreement with Experimental Data? A Geometrical Interpretation of the Problem-Reference-Cited by-同舟云学术

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Are Protein Conformational Ensembles in Agreement with Experimental Data? A Geometrical Interpretation of the Problem

Published:2024-07-03 Issue:14 Volume:64 Page:5392-5401
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Fiorucci Letizia¹²,Schiavina Marco¹²,Felli Isabella C.¹²^ORCID,Pierattelli Roberta¹²^ORCID,Ravera Enrico¹²³^ORCID

Affiliation:

1. Department of Chemistry “Ugo Schiff” and Magnetic Resonance Center (CERM), University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy

2. Consorzio Interuniversitario Risonanze Magnetiche di Metalloproteine (CIRMMP), Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy

3. Florence Data Science, University of Florence, Viale G.B. Morgagni 59, 50134 Florence, Italy

Funder

Ministero dell'Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00582

Reference60 articles.

1. Is one solution good enough?

2. A critical assessment of methods to recover information from averaged data

3. How Much Backbone Motion in Ubiquitin Is Required To Account for Dipolar Coupling Data Measured in Multiple Alignment Media as Assessed by Independent Cross-Validation?

4. From The Cover: Experimentally exploring the conformational space sampled by domain reorientation in calmodulin

5. Recovering a Representative Conformational Ensemble from Underdetermined Macromolecular Structural Data

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