The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations
Open accessAbstract
The excess proton in aqueous media plays a pivotal role in many fundamental chemical (e.g., acid-base chemistry) and biological (e.g., bioenergetics and enzyme catalysis) processes. Understanding the hydrated proton is, therefore, crucial for chemistry, biology, and materials sciences. Although well studied for over 200 years, excess proton solvation and transport remains to this day mysterious, surprising, and perhaps even misunderstood. In this feature article, various efforts to address this problem through computer modeling and simulation will be described. Applications of computer simulations to a number of important and interesting systems will be presented, highlighting the roles of charge delocalization and Grotthuss shuttling, a phenomenon unique in many ways to the excess proton in water.
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Citations
Cites
Toward Theoretical Analyis of Long-Range Proton Transfer Kinetics in Biomolecular Pumps
König, P. H., Ghosh, N., Hoffmann, M., Elstner, M., Tajkhorshid, E., Frauenheim, T., & Cui, Q. (2006) · The Journal of Physical Chemistry A · doi:10.1021/jp052328q · Cited by 114
Cited by
Water as an active constituent in cell biology
Ball, P. (2008) · Chemical Reviews · doi:10.1021/cr068037a · Cited by 2,177
Theory of Coupled Electron and Proton Transfer Reactions
Hammes-Schiffer, S., & Stuchebrukhov, A. A. (2010) · Chemical Reviews · doi:10.1021/cr1001436 · Cited by 848
Coarse-Graining Methods for Computational Biology
Saunders, M. G., & Voth, G. A. (2013) · Annual Review of Biophysics · doi:10.1146/annurev-biophys-083012-130348 · Cited by 565
Self-citationMarx, D., Chandra, A., & Tuckerman, M. E. (2010) · Chemical Reviews · doi:10.1021/cr900233f · Cited by 522
Water is an active matrix of life for cell and molecular biology
Ball, P. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1703781114 · Cited by 484
Metadata
- Authors
- Swanson, J. M. J., Maupin, C. M., Chen, H., Petersen, M. K., Xu, J., Wu, Y., & Voth, G. A.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-04-13
- Volume
- 111
- Issue
- 17
- Pages
- 4300-4314
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2087266255
- Cited by
- 304
- References
- 1
- FWCI
- 17.31
- Type
- journal article
- Language
- en
- Open access
- green
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