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Cited by 521

The DOI matches its Crossref record; 121 of the 121 references it cites were found in a registry or an index.

Molecular Dynamics of Water at the Protein−Solvent Interface

Open access
Bizzarri, Anna Rita, Cannistraro, Salvatore·2002·The Journal of Physical Chemistry B

Abstract

The use of molecular dynamics simulation to investigate the properties of hydration water around proteins is outlined. A variety of structural and dynamical properties of the protein hydration water are reviewed and compared with those of bulk and with the corresponding experimental results. In particular, the accessibility to the protein medium, the hydrogen bond networking capability, the residence times, the diffusive mobility, the relaxation behavior, and the inelastic vibrational features of hydration water are analyzed in framework of the peculiar interactions of water at the protein surface. All these features, which can be traced back to the complexity of the overall protein−solvent energy landscape, are discussed in connection with the role played by hydration water in the biological functionality.

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Crossref · 10.1021/jp020100m

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Metadata

Authors
Bizzarri, A. R., & Cannistraro, S.
Venue
The Journal of Physical Chemistry B
Published
2002-06-07
Volume
106
Issue
26
Pages
6617-6633
ISSN
  • 1520-5207 (ISSN-L)
  • 1520-6106
OpenAlex
W2078216776
Cited by
521
References
121
FWCI
8.53
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Molecular Dynamics of Water at the Protein−Solvent Interface. https://app.cochat.ai/papers/10.1021/jp020100m
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Bizzarri, A. R., & Cannistraro, S. (2002). Molecular Dynamics of Water at the Protein−Solvent Interface. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp020100m

Data sources

Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.