Computers & Chemistry, Volume 20

Volume 20, Number 1, 1996

• Philipp Bucher, Kevin Karplus, Nicolas Moeri, Kay Hofmann:
  A Flexible Motif Search Technique Based on Generalized Profiles. 3-23
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• Michael Gribskov, Nina L. Robinson:
  Use of Receiver Operating Characteristic (ROC) Analysis to Evaluate Sequence Matching. 25-33
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• Colin Martindale, Andrzej K. Konopka:
  Oligonucleotide Frequencies in DNA Follow a Yule Distribution. 35-38
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• George I. Bell:
  Evolution of Simple Sequence Repeats. 41-48
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• Claudia Kappen:
  Theoretical Approaches to the Analysis of Homeobox Gene Evolution. 49-59
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• Christopher Wills:
  Improving the Analysis of Phylogenetic Data. 61-65
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• Christian V. Forst:
  Chaotic Interactions of Self-replicating RNA. 69-83
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• Christian Reidys, Peter F. Stadler:
  Bio-molecular Shapes and Algebraic Structures. 85-94
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• Robert Rosen:
  Biology and the Measurement Problem. 95-100
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• James W. Fickett:
  The Gene Identification Problem: An Overview for Developers. 103-118
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• Jerzy Jurka, Paul Klonowski, Vadim Dagman, Paul Pelton:
  Censor - a Program for Identification and Elimination of Repetitive Elements From DNA Sequences. 119-121
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• Jürgen Kleffe, Klaus Hermann, Mark Borodovsky:
  Statistical Analysis of Genemark Performance by Cross-validation. 123-133
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• Sherri Matis, Ying Xu, Manesh J. Shah, Xiaojun Guan, J. Ralph Einstein, Richard J. Mural, Edward C. Uberbacher:
  Detection of RNA Polymerase II Promoters and Polyadenylation Sites in Human DNA Sequence. 135-140
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• Graziano Pesole, Giorgio Grillo, Sabino Liuni:
  Databases of MRNA Untranslated Regions for Metazoa. 141-144
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Volume 20, Number 2, 1996

• William G. Bardsley, R. M. W. Wood, Elena M. Melikhova:
  Optimal Design: A Computer Program to Study the Best Possible Spacing of Design Points for Model Discrimination. 145-157
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• Tetsuo Morikawa:
  Enumeration of Kekulé Structures in Polyradical Polyhexes. 159-165
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• César Grande Martín, José Luis F. González Hernández, Maria del Mar Canedo Alonso:
  KINAGDC-MW: A Multipurpose Program for the Treatment of Kinetic and Equilibrium Data. 167-173
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• Rafael Cela, Marta Lores:
  PREOPT-W: A Simulation Program for Off-line Optimization of Binary Gradient Separations in HPLC-I. Fundamentals and Overview. 175-191
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• Rafael Cela, Marta Lores:
  PREOPT-W: A Simulation Program for Off-line Optimization of Binary Gradient Separations in HPLC-II. Data Management and Miscellaneous Aspects of Use. 193-202
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• Roman Wojsz:
  Microcomputer Program for the Determination of Curves Characterizing the Texture of Microporous Adsorbents. 203-207
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• R. S. Stojanovic, Howard B. Greenhill, Alan M. Bond, Jeffrey E. Anderson:
  Versatile Computer-based Instrumentation for the Application of Three-dimensional Voltammetry. 209-218
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• Jean-Claude Lartigue, Michel Pétraud, Mouna Harket, Bernard De Jeso, Max Ratier:
  A Fast Algorithm for Computer Simulations in Inept Experiments. 219-225
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• Ludovic Mouron, Gilles Roullet, Jean-Jacques Legendre, Gérard Picard:
  Geometrical Analysis of the Voids in Structural Models of Molten Salts. 227-233
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• Scott Elliott, Shen Mei, C. Y. J. Kao, Richard P. Turco, Mark Z. Jacobson:
  A Streamlined Family Photochemistry Module Reproduces Major Nonlinearities in the Global Tropospheric Ozone System. 235-259
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• Hans P. Dettmar, Garth S. Barbour, Kim T. Blackwell, Thomas P. Vogl, Daniel L. Alkon, Fred S. Fry Jr., Joseph E. Totah, T. L. Chambers:
  Orange Juice Classification with a Biologically Based Neural Network. 261-265
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• Sachiko Okada, Kenji Okada:
  X-ray Crystallographic Computer System DS*SYSTEM2for Some Organic Compounds. 267-270
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• Xiaodong Zhang, Hongbin Hu, Nian Huai, Lianfang Shen, Chaohui Ye:
  WHNMR - A Universal NMR Application Package. 271-273
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• W. M. Gonçalves, Walter Maigon Pontuschka, José Carlos Sartorelli:
  An Algorithm for the Matrix Representation of ESR Hamiltonians. 275-277
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• Andrzej Galat:
  A Large-scale Processing of Kinetic Data Files with Derivation of the Inhibitory Constant Ki: An Application to Proline Isomerases. 279-281
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Volume 20, Number 3, 1996

• Rafael Cela, E. Leira, O. Cabaleiro, Marta Lores:
  PREOPT-W: Off-line Optimization of Binary Gradient Separations in HPLC By Simulation - III. Phase 2and the Objective Functions. 285-313
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• Rafael Cela, E. Leira, O. Cabaleiro, Marta Lores:
  PREOPT-W: Off-line Optimization of Binary Gradient Separations in HPLC By Simulation - IV. Phase 3. 315-330
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• Sabtcho D. Dimitrov, Dimitar I. Kamenski:
  Parameter Estimation in Complicated Rational Functions. 331-337
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• Jon A. Christopher, Rosemarie Swanson, Thomas O. Baldwin:
  Algorithms for Finding the Axis of a Helix: Fast Rotational and Parametric Least-squares Methods. 339-345
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• Guntram J. R. Haas, Kurt Kalcher:
  Fast Recording Software with Automatic Mass Calibration for the Laser-microprobe-mass-analyzer LAMMA-500. 347-352
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• G. V. R. Chandramouli, C. Balagopalakrishna, M. V. Rajasekharan, Periyakarupan T. Manoharan:
  Fitting of Magnetic Susceptibility Data as a Function of Temperature of Various Spin Systems - a FORTRAN Program. 353-358
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• Nigel P. Brown, Christine A. Orengo, William R. Taylor:
  A Protein Structure Comparison Methodology. 359-380
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• David N. J. White:
  A Hardware and Software Environment for Parallel Processing with PCs. 381-384
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• M. Pilar García Armada:
  A Program for Calculation and Graphic Representation of Conditional Constants - II. Solubility Products. 385-387
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Volume 20, Number 4, 1996

• Hanno Essén, Mats Svensson:
  Calculation of Coordinates From Molecular Geometric Parameters and the Concept of a Geometric Calculator. 389-395
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• Tom E. Simos, G. Tougelidis:
  A Numerov-type Method for Computing Eigenvalues and Resonances of the Radial Schrödinger Equation. 397-401
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• Leslaw K. Bieniasz:
  A Reaction Compiler for Electrochemical Kinetics. 403-418
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• Wendell Forst:
  Approximation for Sums and Densities of State of Vibrations Coupled with Symmetric Top K-rotor. 419-425
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• Roman Wojsz, Artur P. Terzyk:
  Fractal Dimension of Microporous Carbon on the Basis of First Solution of a Laplace Transform Using an Incomplete Gamma Function. 427-430
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• Willem J. Melssen, Eduard P. P. A. Derks, Mischa L. M. Beckers, Lutgarde M. C. Buydens:
  Parallel Processing of Chemical Information in a Local Area Network - I. Hydra: Concept, Configuration, and Implementation of Parallel Applications. 431-438
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• Willem J. Melssen, Eduard P. P. A. Derks, Mischa L. M. Beckers, Lutgarde M. C. Buydens:
  Parallel Processing of Chemical Information in a Local Area Network - II. a Parallel Cross-validation Procedure for Artificial Neural Networks. 439-448
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• Willem J. Melssen, Eduard P. P. A. Derks, Mischa L. M. Beckers, Lutgarde M. C. Buydens:
  Parallel Processing of Chemical Information in a Local Area Network - III. Using Genetic Algorithms for Conformational Analysis of Biomacromolecules. 449-457
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• Frederick H. Hausheer, Noel D. Jones, Peddaiahgari Seetharamulu, U. C. Singh, Jack B. Deeter, Larry W. Hertel, Julian S. Kroin:
  Ab Initio Quantum Mechanical and X-ray Crystallographic Studies of Gemcitabine and 2'-deoxy Cytosine. 459-467
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• Carolina Cruz-Neira, Randolph Langley, Paul A. Bash:
  Vibe: A Virtual Biomolecular Environment for Interactive Molecular Modeling. 469-477
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• Peter Senn:
  Shaded Space-filling Stereoscopic Representations of Molecules As Dotted Surfaces. 479-482
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• Øyvind Edvardsen:
  A World-wide Web Service for Calculating Approximate Amber C-C and C-N Bond Stretching and Torsional Parameters. 483-484
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• Maria Rosario Soriano, Jorge A. O. Bruno, Alicia Batana:
  Gammel: A Program for the Calculation of the Pressure Dependence of the Elastic Constants of Ionic Crystals. 485-487
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