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Science 19 August 1983:
Vol. 221. no. 4612, pp. 709 - 713
DOI: 10.1126/science.6879170

Articles

Science, Vol 221, Issue 4612, 709-713
Copyright © 1983 by American Association for the Advancement of Science


articles

Solvent-accessible surfaces of proteins and nucleic acids

ML Connolly

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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Structure of Nitric Oxide Synthase Oxygenase Dimer with Pterin and Substrate.
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De Novo Protein Design: Fully Automated Sequence Selection.
B. I. Dahiyat and S. L. Mayo (1997)
Science 278, 82-87
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Probing the role of packing specificity in protein design.
B. I. Dahiyat and S. L. Mayo (1997)
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The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile.
J. L. Schmitke, L. J. Stern, and A. M. Klibanov (1997)
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The activation process of the alpha 1B-adrenergic receptor: Potential role of protonation and hydrophobicity of a highly conserved aspartate.
A. Scheer, F. Fanelli, T. Costa, P. G. De Benedetti, and S. Cotecchia (1997)
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Novel dimeric interface and electrostatic recognition in bacterial Cu,Zn superoxide dismutase.
Y. Bourne, S. M. Redford, H. M. Steinman, J. R. Lepock, J. A. Tainer, and E. D. Getzoff (1996)
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Sulfite Reductase Structure at 1.6 Å: Evolution and Catalysis for Reduction of Inorganic Anions.
B. R. Crane, L. M. Siegel, and E. D. Getzoff (1995)
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The crystal structure of urease from Klebsiella aerogenes.
E Jabri, M. Carr, R. Hausinger, and P. Karplus (1995)
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Crystal Structure of the OPG2 Fab.
R. Kodandapani, B. Veerapandian, T. J. Kunicki, and K. R. Ely (1995)
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The crystal structure of lysin, a fertilization protein.
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Human CksHs2 atomic structure: a role for its hexameric assembly in cell cycle control.
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Structure-based discovery of inhibitors of thymidylate synthase.
B. Shoichet, R. Stroud, D. Santi, I. Kuntz, and K. Perry (1993)
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Structure-Based Strategies for Drug Design and Discovery.
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