Effects of Water Deuteration on Thermodynamic and Structural Properties of Proteins and Biomembranes.
Journal
The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530
Informations de publication
Date de publication:
09 02 2023
09 02 2023
Historique:
pubmed:
2
2
2023
medline:
11
2
2023
entrez:
1
2
2023
Statut:
ppublish
Résumé
Light and heavy water are often used interchangeably in spectroscopic experiments with the tacit assumption that the structure of the investigated biomolecule does not depend too much on employing one or the other solvent. While this may often be a good approximation, we demonstrate here using molecular dynamics simulations incorporating nuclear quantum effects via modification of the interaction potential that there are small but significant differences. Namely, as quantified and discussed in the present study, both proteins and biomembranes tend to be slightly more compact and rigid in D
Identifiants
pubmed: 36722049
doi: 10.1021/acs.jpcb.2c08270
pmc: PMC10017026
doi:
Substances chimiques
Water
059QF0KO0R
Proteins
0
Deuterium Oxide
J65BV539M3
Solvents
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
1138-1143Références
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