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Solvent-Accessible Surfaces of Proteins and Nucleic Acids
Abstract
A method is presented for analytically calculating a smooth, three-dimensional contour about a molecule. The molecular surface envelope may be drawn on either color raster computer displays or real-time vector computer graphics systems. Molecular areas and volumes may be computed analytically from this surface representation. Unlike most previous computer graphics representations of molecules, which imitate wire models or space-filling plastic spheres, this surface shows only the atoms that are accessible to solvent. This analytical method extends the earlier dot surface numerical algorithm, which has been applied in enzymology, rational drug design, immunology, and understanding DNA base sequence recognition.
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Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
PatchDock and SymmDock: servers for rigid and symmetric docking
Schneidman-Duhovny, D., Inbar, Y., Nussinov, R., & Wolfson, H. J. (2005) · Nucleic Acids Research · doi:10.1093/nar/gki481 · Cited by 3,018
Solving the multiple instance problem with axis-parallel rectangles
Dietterich, T. G., Lathrop, R. H., & Lozano-Pérez, T. (1997) · Artificial Intelligence · doi:10.1016/s0004-3702(96)00034-3 · Cited by 2,866
CASTp 3.0: computed atlas of surface topography of proteins
Tian, W., Chen, C., Lei, X., Zhao, J., & Liang, J. (2018) · Nucleic Acids Research · doi:10.1093/nar/gky473 · Cited by 2,389
Benchmarking sets for molecular docking.
Huang, N., Shoichet, B. K., & Irwin, J. J. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm0608356 · Cited by 1,318
Metadata
- Authors
- Connolly, M. L.
- Venue
- Science
- Published
- 1983-08-19
- Volume
- 221
- Issue
- 4612
- Pages
- 709-713
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2108508060
- Cited by
- 2,745
- References
- 0
- FWCI
- 9.51
- Type
- journal article
- Language
- en
- Open access
- closed
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