Protein dynamics and NMR relaxation: comparison of simulations with experiment

1982/11/01 by Giovanni Lipari, Attila Szabo, Attila Szabó +1 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · #Hemoglobin structure and function #Molecular spectroscopy and chirality #Protein Structure and Dynamics

paper · doi:10.1038/300197a0

crossref issued 1982/11/01 · crossref published 1982/11/01 · crossref published-print 1982/11/01 · openalex publication_date 1982/11/01 · crossref created 2004/11/17 · crossref deposited 2023/05/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/23 · crossref indexed 2026/07/29

Cited by

• Relation between native ensembles and experimental structures of proteins
• Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin

Discussions

• Absolutely. We and many others have been doing this for molecular simulations and machine learning models for a long time. Here's a >40 year old paper on this: doi.org/10.1038/3001... And a couple [bsky, 4 points, 1 comments]