Table Of Content

Journal of MOLECULAR GRAPHICS VOLUME 9, 1991 AUTHOR/TITLE INDEX Abstracts from the Molecular Graphics Society Gaber, B. P. Introduction: How big is your Mezey, P. G.: See Arteca, G. A., 148 Workshop on Desktop Molecular desktop?, 2 Milner-White, E. J.: See Belhadj-Mostefa, K., Visualization, 40 Garavelli, J. S. Molecular modeling on the 194 Abstracts from the Workshop on Aspects of Commodore Amiga, 24 Mornon, J. P.: See Tuffery, P., 175 Molecular Graphics, 53 Geourjon, C., Deléage, G. and Roux, B. Miiller-Plathe, F.: See Wilton, A., 127 Allen, F. H.: See Poirrette, A. R., 203 ANTHEPROT: An interactive graphics Arteca, G. A., Tapia, O. and Mezey, P. G. software for analyzing protein structures Orti, E.: See Torrens, F., 254 Implementing knot-theoretical from sequences, 188 characterization methods to analyze the Gertner, B. J., Whitnell, R. M. and Wilson, Pattabiraman, N. and Ward, K. B. Crepe- backbone structure of proteins: Application K. R. Fast space-filling molecular graphics ribbon representation for protein structures: to CTF L7/L12 and carboxypeptidase A using dynamic partitioning among parallel Comparison of phospholipases A>, 3 inhibitor proteins, 148 processors, 139 Pettersen, E. F.: See Ferrin, T. E., 27; Huang, Gund, T. M.: See Spivak, C. E., 105 ee, 20 Barlow, D. J.: See Lawrence, S. M., 218 Hazout, S.: See Tuffery, P., 175 Poet, R.: See Belhadj-Mostefa, K., 194 Barth, A.: See Brandt, W. 122 Henkel, J. G. PC-based molecular modeling in Poirrette, A. R., Willett, P. and Allen, F. H. Belhadj-Mostefa, K., Poet, R. and Milner- the classroom: Applications to medicinal Pharmacophoric pattern matching in files of White, E. J. Displaying inter-main chain chemistry and biochemistry, 11 three-dimensional chemical structures: hydrogen bond patterns in proteins, 194 Hermsmeir, M.: See Spivak, C. E., 105 Characterization and use of generalized BraTnhdotn,d oWr.f,, WI.a haanbd, BaMr.t,h, ScA.h inHkeA,M OHG..:, HHeusaknegt,h , C.G .:C .:S eSee eL iFveirnrgisn,t onTe., E.D,. 2J7., 115 Provbaslt,e ncMe. anMg.l e Ons crteheen s,u se 20o3f a general-purpose Molecular graphics program for chemistry, Huang, C. C., Pettersen, E. F., Klein, T. E., CAD program for molecular graphics, 226 biochemistry, molecular biology and enzyme Ferrin, T. E., and Langridge, R. Conic: A research, 122 fast renderer for space-filling molecules with Ramos, M. J. Model structure for the human blood coagulation agent B-factor XIla, 91 shadows, 230 Rippmann, F. and Taylor, W. R. Visualization Cense, J.-M. Exact visibility calculation for of structural similarity in proteins, 169 space-filling molecular models, 191 Johnson, P.: See Darden, T., 18 Roux, B.: See Geourjon, C., 188 Chelvanayagam, G. and McKeaig, L. Stereo Jones, D. T. The application of fractal viewing on the PC/AT with EGA graphics, clustering to efficient molecular ray tracing 111 on low-cost computers, 249 Sanchez-Marin, J.: See Torrens, F., 254 Chun, P. W.: See Jou, W. S., 237 Jou, W. S. and Chun, P. W. Molecular Schinke, H.: See Brandt, W., 122 Clark, D. E., Willett, P. and Kenny, P. W. mechanics of the formation of cholic acid Shang, W.-C.: See Spivak, C. E., Pharmacophoric pattern matching in files of micelles, 237 105 Smith, H.: See Darden, T., 18 three-dimensional chemical structures: Use of smoothed bounded distances for Kendrick, J. and Fox, M. Calculation and Smith, W.: See Wilton, A., 127 incompletely specified query patterns, 157 display of electrostatic potentials, 182 Sneddon, S. F.: See Sokalski, W. A., 74 Clayworth, D.: See Livingstone, Kenny, P. W.: See Clark, D. E., 157 Sokalski, W. A. and Sneddon, S. F. Efficient BD. £, BS Klein, T. E.: See Huang, C. C., 230 method for the generation and display of Couch, G. S.: See Ferrin, T. E., 27 Krug, M. and Folkers, G.A DAPTU: electrostatic potential surfaces from ab-initio Animated dynamics analysis program at wavefunctions, 74 Tiibingen University, 119 Spivak, C. E., Waters, J. A., Yadav, J. S., Darden, T., Johnson, P. and Smith, H. Shang, W.-C., Hermsmeier, M., Liang, MULTI: A shared memory approach to Langridge, R.: See Ferrin, T. E., 27; Huang, R. F. and Gund, T. M. (+)-Octahydro-2- cooperative molecular modeling, 18 €. €:, 20 methyl-trans-5(1H)-isoquinolone methiodide: Deléage, G.: See Geourjon, C., 188 Lawrence, M. J.: See Lawrence, S. M., A probe that reveals a partial map of the Dietrich, A. and Maigret, B. Program for the 218 nicotinic receptor’s recognition site, 105 visualization of inorganic crystals, 85 Lawrence, S. M., Lawrence, M. J. and Driessen, H. P. C.: See Wang, D., 50 Barlow, D. J. VESICA: Computer graphics Tapia, O.: See Arteca, G. A., 148 modeling of lipid vesicles, 218 Taylor, W. R.: See Rippmann, F., 169 Ferrin, T. E.: See Huang, C. C., 230 Liang, R. F.: See Spivak, C. E., 105 Thondorf, I.: See Brandt, W., 122 Ferrin, T. E., Couch, G. S., Huang, C. C., Livingstone, D. J., Hesketh, G. and Tickle, I. J.: See Wang, D., 50 Pettersen, E. F. and Langridge, R. An Clayworth, D. Novel method for the display Toma, K. Number of residues in a sphere affordable approach to interactive desktop of multivariate data using neural networks, around a certain residue can be used as a molecular modeling, 27 115 hydrophobic penalty function of proteins, 78 Flower, D. R. Improved ribbon-drawing Torrens, F., Orti, E. and Sanchez-Marin, J. programs, 257 Maigret, B.: See Dietrich, A., 85 Improved AMYR program: An algorithm for Folkers, G.: See Krug, M., 119 McKeaig, L.: See Chelvanayagam, G., the theoretical simulation of molecular Fox, M.: See Kendrick, J., 182 111 associations, including geometrical and J. Mol. Graphics, 1991, Vol. 9, December 261 topological characterization of the dimers, Wang, D., Driessen, H. P. C., Tickle, I. J. Wilson, K. R.: See Gertner, B. J., 139 254 MOLPACK: Molecular graphics for Wilton, A., Miiller-Plathe, F. and Smith, W. Tuffery, P., Vaney, M. C., Mornon, J. P. and studying the packing of protein molecules in TEQUILA: Displaying molecular distance Hazout, S. FORME: An interactive package the crystallographic unit cell, 50 maps, 127 for protein backbone deformation, 175 Ward, K. B.: See Pattabiraman, N., 3 Waters, J. A.: See Spivak, C. E., 105 Yadav, J. S.: See Spivak, C. E., 105 Vaney, M. C.: See Tuffery, P., 175 Whitnell, R. M.: See Gertner, B. J., 139 Willett, P.: See Clark, D. E., 157; Poirrette, Wahab, M.: See Brandt, W., 122 A. R., 203 KEYWORDS INDEX Actinidin, 194 Hydrophobicity, 188 Proteins, 175, 194 Artificial intelligence, 115 Hydrophobic penalty function, 78 Protein structure, 3, 78, 148, 188, 257 Backbone deformation, 175 Icosahedral tessellation, 218 Quantitative structure-activity relationships, Bile salts, 237 Interactive drawing, 191 115 Bioisosterism, 11 Interactive molecular graphics, 27 Quantum mechanical properties, 74 Bond angle, 203 Bounds smoothing, 157 Jones polynomials, 148 I/R expansion, 254 Raster graphics, 139, 191, 249 a-carbon model, 78 Knot-theory, 148 Ray tracing, 249 Carboxypeptidase inhibitor protein, 148 Receptor map, 105 Chemical and proteolytic digestion, 188 Least-squares fitting, 182 Residues in a sphere, 78 Computer-aided design (CAD), 226 Lipid bilayer, 218 Reverse phase high pressure liquid Computer graphics, 24, 226, 257 Loop motifs, 194 chromatography (HPLC), 188 Conic, 230 Ribbon drawing program, 257 CCoPoKr dimnoadteiloinn g,c he8m5i stry, 85 MDS analysis, 119 Ribbon representation, 3 Crystallographic unit cell, 50 Membranes, 218 Crystal packing, 50 Micellization, 237 Screenout, 157 CTF L7/L12 ribosomal protein, 148 Microcomputers, 249 Screen search, 157 Cubic Bezier curve, 191 Modeling, 91 Secondary structure prediction, 188 Cumulative atomic multipole moments, 74 Molecular animation, 11 Sequence alignment, 91 Molecular associations, 254 Sequence homology, 91 3D raster graphics, 85 Molecular dynamics, 139 Shadow, 230 Description of secondary and tertiary Molecular dynamics simulation, 119 Shared memory, 18 structures, 3 Molecular electrostatic field, 122 B-sheet, 194 Desktop molecular modeling, 24, 27 Molecular electrostatic potential, 122 Silicon Graphics workstation, 182 Desktop molecular visualization, | 1 Molecular graphics, 50, 111, 122, 226, 254 Similarity of proteins, 169 Distance constraints, 119 Molecular modeling, 18, 105, 249 Smoothed bounded distances, 157 Distance geometry, 157 Molecular replacement, SO Software development, 226 Drug delivery, 218 Multiprocessor algorithms, 139 Space filling, 230 Space-filling molecular models, 139, 191 Dynamics, 85 NeXT workstation, 27 Sphere, 230 Electron density, 182 Nicotinic agonist, 105 Spherical primitives, 139 Electrostatic potential, 74 Nicotinic receptor, 105 Stereochemistry, 11 Electrostatic potentials, 182 Nonlinear mapping, 115 Stereo graphics, 24 Structure alignment, 169 Electrostatic potential surface, 74 Structure comparison, 169 Enzyme structure and function, 11 Optimization, 249 ORTEP drawings, 85 Stylized protein picture, 257 Superposition, 122 B-factor XIla, 91 Folding analysis, 148 Pair potential, 254 Fractal clustering, 249 Papain, 194 Tachystoscopic stereo, 111 Three-dimensional substructure searching, 203 Parallel processing, 18, 139 Trajectory visualization, 119 Generalized valence angle, 203 Pattern recognition, 115 Geometric search, 157 Peptide generation, 122 Geometry optimization, 254 Personal computer, 111 Unsupervised learning, 115 Graphic display, 175 Pharmacophoric pattern, 203 Pharmacophoric pattern matching, 157 Valence angle, 203 a-helix, 194 Phospholipid vesicles, 218 Vectorization, 254 Homology, 188 Polyhedral approximation, 85 Video graphics, 24 Hydrogen bonds, 194 Principal components analysis, 115 Visualization, 249 262 J. Mol. Graphics, 1991, Vol . 9, December iMaary