Structural Relaxation Processes and Collective Dynamics of Water in Biomolecular Environments.
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:
17 01 2019
17 01 2019
Historique:
pubmed:
20
12
2018
medline:
4
6
2020
entrez:
20
12
2018
Statut:
ppublish
Résumé
In this simulation study, we investigate the influence of biomolecular confinement on dynamical processes in water. We compare water confined in a membrane protein nanopore at room temperature to pure liquid water at low temperatures with respect to structural relaxations, intermolecular vibrations, and the propagation of collective modes. We observe distinct potential energy landscapes experienced by water molecules in the two environments, which nevertheless result in comparable hydrogen bond lifetimes and sound propagation velocities. Hence, we show that a viscoelastic argument that links slow rearrangements of the water-hydrogen bond network to ice-like collective properties applies to both, the pure liquid and biologically confined water, irrespective of differences in the microscopic structure.
Identifiants
pubmed: 30566356
doi: 10.1021/acs.jpcb.8b12052
pmc: PMC6476566
mid: NIHMS1022791
doi:
Substances chimiques
Archaeal Proteins
0
SEC Translocation Channels
0
Water
059QF0KO0R
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Sous-ensembles de citation
IM
Pagination
480-486Subventions
Organisme : NIGMS NIH HHS
ID : P01 GM086685
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM074637
Pays : United States
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