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ORCIDComputers & 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 - Michael Gribskov, Nina L. Robinson:
Use of Receiver Operating Characteristic (ROC) Analysis to Evaluate Sequence Matching. 25-33 - Colin Martindale, Andrzej K. Konopka:
Oligonucleotide Frequencies in DNA Follow a Yule Distribution. 35-38 - George I. Bell:
Evolution of Simple Sequence Repeats. 41-48 - Claudia Kappen:
Theoretical Approaches to the Analysis of Homeobox Gene Evolution. 49-59 - Christopher Wills:
Improving the Analysis of Phylogenetic Data. 61-65 - Christian V. Forst:
Chaotic Interactions of Self-replicating RNA. 69-83 - Christian M. Reidys, Peter F. Stadler:
Bio-molecular Shapes and Algebraic Structures. 85-94 - Robert Rosen:
Biology and the Measurement Problem. 95-100 - James W. Fickett:
The Gene Identification Problem: An Overview for Developers. 103-118 - Jerzy Jurka, Paul Klonowski, Vadim Dagman, Paul Pelton:
Censor - a Program for Identification and Elimination of Repetitive Elements From DNA Sequences. 119-121 - Jürgen Kleffe, Klaus Hermann, Mark Borodovsky:
Statistical Analysis of Genemark Performance by Cross-validation. 123-133 - 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 - Graziano Pesole, Giorgio Grillo, Sabino Liuni:
Databases of MRNA Untranslated Regions for Metazoa. 141-144
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 - Tetsuo Morikawa:
Enumeration of Kekulé Structures in Polyradical Polyhexes. 159-165 - 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 - 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 - 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 - Roman Wojsz:
Microcomputer Program for the Determination of Curves Characterizing the Texture of Microporous Adsorbents. 203-207 - 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 - Jean-Claude Lartigue, Michel Pétraud, Mouna Harket, Bernard De Jeso, Max Ratier:
A Fast Algorithm for Computer Simulations in Inept Experiments. 219-225 - Ludovic Mouron, Gilles Roullet, Jean-Jacques Legendre, Gérard Picard:
Geometrical Analysis of the Voids in Structural Models of Molten Salts. 227-233 - 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 - 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 - Sachiko Okada, Kenji Okada:
X-ray Crystallographic Computer System DS*SYSTEM2for Some Organic Compounds. 267-270 - Xiaodong Zhang, Hongbin Hu, Nian Huai, Lianfang Shen, Chaohui Ye:
WHNMR - A Universal NMR Application Package. 271-273 - W. M. Gonçalves, Walter Maigon Pontuschka, José Carlos Sartorelli:
An Algorithm for the Matrix Representation of ESR Hamiltonians. 275-277 - Andrzej Galat:
A Large-scale Processing of Kinetic Data Files with Derivation of the Inhibitory Constant Ki: An Application to Proline Isomerases. 279-281
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 - 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 - Sabtcho D. Dimitrov, Dimitar I. Kamenski:
Parameter Estimation in Complicated Rational Functions. 331-337 - 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 - Guntram J. R. Haas, Kurt Kalcher:
Fast Recording Software with Automatic Mass Calibration for the Laser-microprobe-mass-analyzer LAMMA-500. 347-352 - 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 - Nigel P. Brown, Christine A. Orengo, William R. Taylor:
A Protein Structure Comparison Methodology. 359-380 - David N. J. White:
A Hardware and Software Environment for Parallel Processing with PCs. 381-384 - M. Pilar García Armada:
A Program for Calculation and Graphic Representation of Conditional Constants - II. Solubility Products. 385-387
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 - Tom E. Simos, G. Tougelidis:
A Numerov-type Method for Computing Eigenvalues and Resonances of the Radial Schrödinger Equation. 397-401 - Leslaw K. Bieniasz:
A Reaction Compiler for Electrochemical Kinetics. 403-418 - Wendell Forst:
Approximation for Sums and Densities of State of Vibrations Coupled with Symmetric Top K-rotor. 419-425 - 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 - 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 - 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 - 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 - 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 - Carolina Cruz-Neira, Randolph Langley, Paul A. Bash:
Vibe: A Virtual Biomolecular Environment for Interactive Molecular Modeling. 469-477 - Peter Senn:
Shaded Space-filling Stereoscopic Representations of Molecules As Dotted Surfaces. 479-482 - Øyvind Edvardsen:
A World-wide Web Service for Calculating Approximate Amber C-C and C-N Bond Stretching and Torsional Parameters. 483-484 - 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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