Solvent-Accessible Surfaces of Proteins and Nucleic Acids
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- Michael L. Connolly
- Molecular Biology Department. Research Institute of Scripps Clinic, La Jolla, California 92037.
書誌事項
- 公開日
- 1983-08-19
- 資源種別
- journal article
- DOI
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- 10.1126/science.6879170
- 公開者
- American Association for the Advancement of Science (AAAS)
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説明
<jats:p>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.</jats:p>
収録刊行物
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- Science
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Science 221 (4612), 709-713, 1983-08-19
American Association for the Advancement of Science (AAAS)