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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
MeSH Review

Computer Graphics

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Disease relevance of Computer Graphics


High impact information on Computer Graphics

  • Although progress has been made in the design of inhibitors for clinical use by modification of angiotensinogen sequences, and as pepstatin analogues or with reduced peptide bonds, we have now provided the basis for a more rational approach by the use of interactive computer graphics techniques to build a three-dimensional model of renin [6].
  • Computer graphic analysis suggested that these substitutions would differentially affect arginine and lysine substrate binding of the enzyme [7].
  • Use of computer graphics has shown that it is possible to model a linear aggregate of TTR molecules, each linked to the next by a pair of disulphide bonds involving Cys10 residues [8].
  • Knowledge of the structure of hen lysozyme to high resolution and the use of computer graphics enables the localisation of the epitopes recognised by the antibodies with some precision [9].
  • Computer graphics indicate that a steric hindrance exists between valine-110 side chain of human lysozyme (EC and an acetyl group of a modified substrate that contains N6,O-diacetylmuramic acid [10].

Biological context of Computer Graphics


Anatomical context of Computer Graphics


Associations of Computer Graphics with chemical compounds

  • Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin--DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions [19].
  • Computer graphics model building and molecular mechanical calculations have been carried out on d(CGTACG)2 and its bis-intercalation complexes with triostin A and an N-Me-Ala analogue of triostin A [20].
  • Computer graphics simulation of the interaction between the codon-anticodon duplexes containing adenine in the first (wobble) position of the anticodons, and bound to the ribosomal A- and P-sites, was made [21].
  • From computer graphics analysis and MD simulations on the zinc hydroxide form of human carbonic anhydrase II we find that this interaction forces the hydroxide hydrogen atom to be in a "down" position relative to the deep water-binding pocket [22].
  • Three-dimensional models of the picrotoxinin and alkyl-substituted gamma-butyrolactone (GBL) receptor sites were constructed with the aid of a molecular graphics computer system (MMS-X) [23].

Gene context of Computer Graphics

  • This paper describes the structure of bovine pancreatic ribonuclease A, refined by a restrained parameter least squares procedure at 2.0 A resolution, and rebuilt using computer graphics [24].
  • Using computer graphics models of the human TrkA and TrkC immunoglobulin-like domains as a guide, the residues involved in binding to their respective neurotrophins were mapped by mutational analysis [25].
  • Computer graphic analysis predicts that, with the double substitution, a putative receptor binding groove of the monocyte chemoattractant protein would become topographically similar to that of interleukin-8 [26].
  • The stripes were reconstructed on a representation of the flattened cortical surface by two independent techniques: one used computer graphics, and the other was the manual unfolding procedure of Van Essen and Maunsell (VanEssen, D. C., and J. H. R. Maunsell (1980) J. Comp. Neurol. 191: 255-281) [27].
  • This analysis together with computer graphics modeling for Gst p-2 indicated that these changes affected both substrate and glutathione binding to the enzyme [28].

Analytical, diagnostic and therapeutic context of Computer Graphics

  • This can be achieved by a series of chromatographic and physicochemical procedures including HPLC, GC, MS, NMR, and computer graphics molecular modeling, which culminate in information on monosaccharide sequence and linkage, glycoprotein conformation, and oligosaccharide-to-protein interactions [29].
  • Using derived formulas for dichromat colorimetry and related computer graphic colorimetric tools, predictions of color discrimination performance are made for a deuteranope and protanope standard observer for each of three commercial color deficiency "treatment" filters [30].


  1. A hypothetical model of the flavodoxin-tetraheme cytochrome c3 complex of sulfate-reducing bacteria. Stewart, D.E., LeGall, J., Moura, I., Moura, J.J., Peck, H.D., Xavier, A.V., Weiner, P.K., Wampler, J.E. Biochemistry (1988) [Pubmed]
  2. Design and synthesis of Cyclopenta[g]quinazoline-based antifolates as inhibitors of thymidylate synthase and potential antitumor agents(,). Bavetsias, V., Marriott, J.H., Melin, C., Kimbell, R., Matusiak, Z.S., Boyle, F.T., Jackman, A.L. J. Med. Chem. (2000) [Pubmed]
  3. Chemical toxicity, cytochrome P-450, and computer graphics. Parke, D.V. Regulatory toxicology and pharmacology : RTP. (1987) [Pubmed]
  4. Three-dimensional dose-response models of competing risks and natural life span. Raabe, O.G. Fundamental and applied toxicology : official journal of the Society of Toxicology. (1987) [Pubmed]
  5. Evaluation of an ossifying fibroma using three-dimensional computed tomography. Cavalcanti, M.G., Ruprecht, A., Vannier, M.W. Dento maxillo facial radiology. (2001) [Pubmed]
  6. Three-dimensional structure, specificity and catalytic mechanism of renin. Blundell, T., Sibanda, B.L., Pearl, L. Nature (1983) [Pubmed]
  7. Redesigning trypsin: alteration of substrate specificity. Craik, C.S., Largman, C., Fletcher, T., Roczniak, S., Barr, P.J., Fletterick, R., Rutter, W.J. Science (1985) [Pubmed]
  8. Structure of Met30 variant of transthyretin and its amyloidogenic implications. Terry, C.J., Damas, A.M., Oliveira, P., Saraiva, M.J., Alves, I.L., Costa, P.P., Matias, P.M., Sakaki, Y., Blake, C.C. EMBO J. (1993) [Pubmed]
  9. Three distinct epitopes within the loop region of hen egg lysozyme defined with monoclonal antibodies. Darsley, M.J., Rees, A.R. EMBO J. (1985) [Pubmed]
  10. Secretion in yeast of human lysozymes with different specific activities created by replacing valine-110 with proline by site-directed mutagenesis. Kikuchi, M., Yamamoto, Y., Taniyama, Y., Ishimaru, K., Yoshikawa, W., Kaisho, Y., Ikehara, M. Proc. Natl. Acad. Sci. U.S.A. (1988) [Pubmed]
  11. Molecular modeling of human P450c17 (17alpha-hydroxylase/17,20-lyase): insights into reaction mechanisms and effects of mutations. Auchus, R.J., Miller, W.L. Mol. Endocrinol. (1999) [Pubmed]
  12. X-ray crystallographic analysis of 3-(2'-phenyl-2,4'-bithiazole-4-carboxamido) propyldimethylsulphonium iodide, an analogue of the DNA-binding portion of bleomycin A2. Kuroda, R., Neidle, S., Riordan, J.M., Sakai, T.T. Nucleic Acids Res. (1982) [Pubmed]
  13. Complete assignment of the aromatic proton magnetic resonance spectrum of the kringle 1 domain from human plasminogen: structure of the ligand-binding site. Motta, A., Laursen, R.A., Llinás, M., Tulinsky, A., Park, C.H. Biochemistry (1987) [Pubmed]
  14. Structure-activity relationships of sulfonamide drugs and human carbonic anhydrase C: modeling of inhibitor molecules into the receptor site of the enzyme with an interactive computer graphics display. Vedani, A., Meyer, E.F. Journal of pharmaceutical sciences. (1984) [Pubmed]
  15. Cell cycle perturbation of cultured C6 glioma cells following short-term contact with a low dose of ACNU. Genka, S., Shitara, N., Tsujita, Y., Kosugi, Y., Wu, Y., Takakura, K. Cytometry. (1987) [Pubmed]
  16. Three-dimensional reconstruction of endothelial cell gaps in psoriatic vessels and their morphologic identity with gaps produced by the intradermal injection of histamine. Braverman, I.M., Keh-Yen, A. J. Invest. Dermatol. (1986) [Pubmed]
  17. The role of the vimentin intermediate filaments in rat 3Y1 cells elucidated by immunoelectron microscopy and computer-graphic reconstruction. Katsumoto, T., Mitsushima, A., Kurimura, T. Biol. Cell (1990) [Pubmed]
  18. Naphthalene black staining of granules of eosinophilic granulocytes: proposed mechanism of action using chemical blockade and computer graphics. Cairns, D., Hay, J. Biotechnic & histochemistry : official publication of the Biological Stain Commission. (1994) [Pubmed]
  19. Electrostatic potential molecular surfaces. Weiner, P.K., Langridge, R., Blaney, J.M., Schaefer, R., Kollman, P.A. Proc. Natl. Acad. Sci. U.S.A. (1982) [Pubmed]
  20. Molecular mechanical studies of d(CGTACG)2: complex of triostin A with the middle A - T base pairs in either Hoogsteen or Watson-Crick pairing. Singh, U.C., Pattabiraman, N., Langridge, R., Kollman, P.A. Proc. Natl. Acad. Sci. U.S.A. (1986) [Pubmed]
  21. Analysis of action of the wobble adenine on codon reading within the ribosome. Lim, V.I. J. Mol. Biol. (1995) [Pubmed]
  22. Insights into the function of the zinc hydroxide-Thr199-Glu106 hydrogen bonding network in carbonic anhydrases. Merz, K.M. J. Mol. Biol. (1990) [Pubmed]
  23. Computer-assisted modeling of the picrotoxinin and gamma-butyrolactone receptor site. Klunk, W.E., Kalman, B.L., Ferrendelli, J.A., Covey, D.F. Mol. Pharmacol. (1983) [Pubmed]
  24. The refined crystal structure of ribonuclease A at 2.0 A resolution. Wlodawer, A., Bott, R., Sjölin, L. J. Biol. Chem. (1982) [Pubmed]
  25. High resolution mapping of the binding site of TrkA for nerve growth factor and TrkC for neurotrophin-3 on the second immunoglobulin-like domain of the Trk receptors. Urfer, R., Tsoulfas, P., O'Connell, L., Hongo, J.A., Zhao, W., Presta, L.G. J. Biol. Chem. (1998) [Pubmed]
  26. Conversion of monocyte chemoattractant protein-1 into a neutrophil attractant by substitution of two amino acids. Beall, C.J., Mahajan, S., Kolattukudy, P.E. J. Biol. Chem. (1992) [Pubmed]
  27. The complete pattern of ocular dominance stripes in the striate cortex and visual field of the macaque monkey. LeVay, S., Connolly, M., Houde, J., Van Essen, D.C. J. Neurosci. (1985) [Pubmed]
  28. Amino acid differences at positions 10, 11, and 104 explain the profound catalytic differences between two murine pi-class glutathione S-transferases. Bammler, T.K., Driessen, H., Finnstrom, N., Wolf, C.R. Biochemistry (1995) [Pubmed]
  29. Characterization of the glycosylation status of proteins. Hounsell, E.F. Mol. Biotechnol. (1994) [Pubmed]
  30. An experimental test of filter-aided dichromatic color discrimination. Richer, S., Adams, A.J. American journal of optometry and physiological optics. (1984) [Pubmed]
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