The DOI matches its Crossref record; 40 of the 40 references it cites were found in a registry or an index.
Water−Silica Force Field for Simulating Nanodevices
Open accessAbstract
Amorphous silica is an inorganic material that is central for many nanotechnology applications, such as nanoelectronics, microfluidics, and nanopore sensors. To use molecular dynamics (MD) simulations to study the behavior of biomolecules interacting with silica, we developed a force field for amorphous silica surfaces based on their macroscopic wetting properties that is compatible with the CHARMM force field and TIP3P water model. The contact angle of a water droplet on a silica surface served as a criterion to tune the intermolecular interactions. The resulting force field was used to study the permeation of water through silica nanopores, illustrating the influence of the surface topography and the intermolecular parameters on permeation kinetics. We find that minute modeling of the amorphous surface is critical for MD studies, since the particular arrangement of surface atoms controls sensitively electrostatic interactions between silica and water.
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Cites
VMD: visual molecular dynamics
Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952
Self-citationComparison of simple potential functions for simulating liquid water
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., & Klein, M. L. (1983) · The Journal of Chemical Physics · doi:10.1063/1.445869 · Cited by 41,298
van der Waals Volumes and Radii
Bondi, A. (1964) · The Journal of Physical Chemistry · doi:10.1021/j100785a001 · Cited by 19,350
Scalable molecular dynamics with NAMD
Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kalé, L., & Schulten, K. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20289 · Cited by 16,914
Self-citationAll-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
MacKerell, A. D., Bashford, D., Bellott, M., Dunbrack, R. L., Evanseck, J. D., Field, M. J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. (1998) · The Journal of Physical Chemistry B · doi:10.1021/jp973084f · Cited by 14,311
Constant pressure molecular dynamics algorithms
Martyna, G. J., Tobias, D. J., & Klein, M. L. (1994) · The Journal of Chemical Physics · doi:10.1063/1.467468 · Cited by 5,804
The surface chemistry of amorphous silica. Zhuravlev model
Zhuravlev, L. T. (2000) · Colloids and Surfaces A: Physicochemical and Engineering Aspects · doi:10.1016/s0927-7757(00)00556-2 · Cited by 2,474
Foloppe, N., & MacKerell, Jr. (2000) · Journal of Computational Chemistry · doi:10.1002/(sici)1096-987x(20000130)21:2<86::aid-jcc2>3.0.co;2-g · Cited by 1,582
Force fields for silicas and aluminophosphates based on ab initio calculations
van Beest, B. W. H., Kramer, G. J., & van Santen, R. A. (1990) · Physical Review Letters · doi:10.1103/physrevlett.64.1955 · Cited by 1,524
Fabrication of solid-state nanopores with single-nanometre precision
Storm, A. J., Chen, J. H., Ling, X. S., Zandbergen, H. W., & Dekker, C. (2003) · Nature Materials · doi:10.1038/nmat941 · Cited by 1,364
Cited by
Emami, F. S., Puddu, V., Berry, R. J., Varshney, V., Patwardhan, S. V., Perry, C. C., & Heinz, H. (2014) · Chemistry of Materials · doi:10.1021/cm500365c · Cited by 567
Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
Bourg, I. C., & Steefel, C. I. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp301299a · Cited by 286
Molecular simulation of water confined in nanoporous silica
Bonnaud, P. A., Coasne, B., & Pellenq, R. J.-M. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/28/284110 · Cited by 182
Sustained administration of hormones exploiting nanoconfined diffusion through nanochannel membranes
Geninatti, T., Hood, R., Bruno, G., Jain, P., Nicolov, E., Ziemys, A., & Grattoni, A. (2015) · Materials · doi:10.3390/ma8085241 · Cited by 13
Metadata
- Authors
- Cruz-Chu, E. R., Aksimentiev, A., & Schulten, K.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-10-13
- Volume
- 110
- Issue
- 43
- Pages
- 21497-21508
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2050578816
- Cited by
- 323
- References
- 40
- FWCI
- 5.85
- Type
- journal article
- Language
- en
- Open access
- green
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- Cruz-Chu, E. R., Aksimentiev, A., & Schulten, K. (2006). Water−Silica Force Field for Simulating Nanodevices. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp063896o
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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