Volume 24,
Number 1,
2000
- William R. Taylor, Gisle Sælensminde, Ingvar Eidhammer:
Multiple Protein Sequence Alignment using Double-dynamic Programming.
3-12
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- Timothy Cardozo, Serge Batalov, Ruben Abagyan:
Estimating Local Backbone Structural Deviation in Homology Models.
13-31
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- W. John Wilbur, Andrew F. Neuwald:
A Theory of Information with Special Application to Search Problems.
33-42
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- Lloyd Allison, Linda Stern, Timothy Edgoose, Trevor I. Dix:
Sequence Complexity for Biological Sequence Analysis.
43-55
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- Maude Klaerr-Blanchard, Hélène Chiapello, Eivind Coward:
Detecting Localized Repeats in Genomic Sequences: A New Strategy and Its Application to Bacillus Subtilis and Arabidopsis Thaliana Sequences.
57-70
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- Honghui Wan, John C. Wootton:
A Global Compositional Complexity Measure for Biological Sequences: AT-rich and GC-rich Genomes Encode Less Complex Proteins.
71-94
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- Claudia Kappen:
The Homeodomain: An Ancient Evolutionary Motif in Animals and Plants.
95-103
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- Hubert P. Yockey:
Origin of Life on Earth and Shannon's Theory of Communication.
105-123
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- Sarah Wheelan, Wojciech Makalowski:
Genome Research: The Second Decade. a Report on the XI Cold Spring Harbor Laboratory Meeting on Genome Mapping and Sequencing, May 13-17, 1998, Cold Spring Harbor, NY.
125-127
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- Lloyd Allison:
Intelligent Systems in Molecular Biology (ISMB98), 27 June - 1 July, 1998, Montreal.
129-132
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- David D. Pollock, Jaap Heringa:
RECOMB98. Computational Molecular Biology: Pre- and Post-genomics, March 22-25, 1998, New York.
133-134
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- Frédérique Lisacek:
Algorithms on Strings, Trees and Sequences: Dan Gusfield.
135-137
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- Gregory Grant:
Bioinformatics - The Machine Learning Approach.
139-141
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Volume 24,
Number 2,
2000
- Sachiko Okada, Kenji Okada:
Detailed Differential Coefficients of Anomalous Dispersion Terms to Derivatives in Least-squares Refinement for X-ray Crystallography.
143-158
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- Yannis Almirantis:
Pattern Formation in a Turing's Type Model with Minimal Reactional Complexity.
159-170
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- Aixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan:
Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M.
171-179
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- Subhash C. Basak, Brian D. Gute, Bono Lucic, Sonja Nikolic, Nenad Trinajstic:
A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity.
181-191
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- Ernesto Estrada:
A Computer-based Approach to Describe the 13C NMR Chemical Shifts of Alkanes by the Generalized Spectral Moments of Iterated Line Graphs.
193-201
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- Jerzy Szczygiel:
Diffusion and Kinetics of Reaction Over Bidispersive Reforming Catalyst.
203-227
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- Sandi Klavzar, Petra Zigert, Ivan Gutman:
An Algorithm for the Calculation of the Hyper-Wiener Index of Benzenoid Hydrocarbons.
229-233
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- Joël-Paul Grillasca, Richard Planells, Denis Aubert, François Antonini:
SPAC: Identification of Polypeptides using Their Amino-acid Composition.
235-238
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- Andrew C. R. Martin:
A Practical Introduction to the Simulation of Molecular Systems, Martin J. Field, Cambridge University Press, 1999; ISBN 0-521-58129-X. 325pp..
239-240
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Volume 24,
Numbers 3-4,
2000
- W. Andrzej Sokalski, Morris Krauss:
Preface.
241-242
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- Roman F. Nalewajski:
Coupling Relations Between Molecular Electronic and Geometrical Degrees of Freedom in Density Functional Theory and Charge Sensitivity Analysis.
243-257
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- Jacek Korchowiec:
Recognition of the Electrophilic and Nucleophilic Centers in Molecules Via the Radical Charge Transfer Fukui Function.
259-262
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- Slawomir Zelek, Jan Wasilewski, Janina R. Heldt:
Density Functional Study of the S0(1Ag) and T1(a3Au) States of the Glyoxal Molecule.
263-274
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- Sharon E. Worthington, Morris Krauss:
Effective Fragment Potentials and the Enzyme Active Site.
275-285
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- Gábor Náray-Szabó:
Chemical Fragmentation in Quantum Mechanical Methods.
287-294
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- Michael S. Lee, Martin Head-Gordon:
Absolute and Relative Energies From Polarized Atomic Orbital Self-consistent Field Calculations and a Second Order Correction.: Convergence with Size and Composition of the Secondary Basis.
295-301
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- Agnieszka Abkowicz-Bienko, Malgorzata Biczysko, Zdzislaw Latajka:
Solvent Effect on Hydrogen Bonded Ammonia-hydrogen Halide Complexes: Continuum Medium Versus Cluster Models.
303-309
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- Giuliano Alagona, Caterina Ghio, Alessandro Agresti:
A Theoretical Study on Reaction Pathways to Carbanions.
311-324
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- Jan Lundell, Mika Pettersson, Markku Räsänen:
Computer Experiments on Xenon-containing Molecules.
325-330
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- Roman Osman, Mónika Fuxreiter, Nianlong Luo:
Specificity of Damage Recognition and Catalysis of DNA Repair.
331-339
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- Antonino Famulari, Federico Moroni, Maurizio Sironi, Mario Raimondi:
Interaction of Ia and IIa Group Cations with the Guanine Site in Cytosine-guanine Nucleic Acid Base Pair: An Ab Initio Hartree Fock Study in the Absence of Basis Set Superposition Error.
341-349
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- Noriyuki Kurita, Kinya Kobayashi:
Density Functional MO Calculation for Stacked DNA Base-pairs with Backbones.
351-357
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- Beata W. Domagalska, Kazimiera A. Wilk, Henryk Szymusiak, Ryszard Zielinski:
New Conjugated Polyenes with 1, 3-dialkyl-2-thiobarbituric Acid Moiety As Materials for Nonlinear Optics: Theoretical Calculations, Synthesis and Spectral Properties.
359-367
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- Henryk Szymusiak, Ryszard Zielinski, Beata W. Domagalska, Kazimiera A. Wilk:
Electronic Structure and Nonlinear Optical Properties of Model Push-pull Polyenes with Modified Indanone Groups: A Theoretical Investigation.
369-380
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- Edyta Wozniak, Stanislaw Oldziej, Jerzy Ciarkowski:
Molecular Modeling of the Catalytic Domain of Serine/threonine Phosphatase-1with the Zn2+ and Mn2+ Di-nuclear Ion Centers in the Active Site.
381-390
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- Hua Xu, Jannie S. J. Van Deventer:
Ab Initio Calculations on the Five-membered Alumino-silicate Framework Rings Model: Implications for Dissolution in Alkaline Solutions.
391-404
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- Artur Góra, Ewa Broclawik, Mieczyslawa Najbar:
Quantum Chemical Modeling (DFT) of Active Species on the V-W-O Catalyst Surface in Various Redox Conditions.
405-410
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- Ewa Broclawik, Tomasz Borowski:
Characteristics of the Ligand-binding Site Interaction for a Series of Arecoline-derived Muscarinic Agonists: A Quantum Chemical Study.
411-420
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- Steven Trohalaki, Eric M. Gifford, Ruth Pachter:
Improved QSARs for Predictive Toxicology of Halogenated Hydrocarbons.
421-427
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- Marek Skowronek, Irena Roterman, Leszek Konieczny, Barbara Stopa, Janina Rybarska, Barbara Piekarska, Andrzej Górecki, Marek Król:
The Conformational Characteristics of Congo Red, Evans Blue and Trypan Blue.
429-450
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- Katarzyna Kulinska, Tadeusz Kulinski, Alexander Lyubartsev, Aatto Laaksonen, Ryszard W. Adamiak:
Spatial Distribution Functions As a Tool in the Analysis of Ribonucleic Acids Hydration - Molecular Dynamics Studies.
451-457
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- Michal Zapalowski, Witold M. Bartczak:
Structural and Dynamical Properties of Concentrated Aqueous NaOH Solutions: A Computer Simulation Study.
459-468
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- Witold M. Bartczak, Katarzyna Pernal:
Potential Traps for an Excess Electron in Liquid Water. Geometry, Energy Distributions and Lifetime.
469-482
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- Bogdan Kuchta, Branka M. Ladanyi:
Monte Carlo Simulations of I2- (CO2)16and I2- (N2O)16Clusters. Minimum Energy Structures and Solvation Energy.
483-488
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- Silvia N. Crivelli, Richard H. Byrd, Elizabeth Eskow, Robert B. Schnabel, Richard Yu, Thomas M. Philip, Teresa Head-Gordon:
A Global Optimization Strategy for Predicting -helical Protein Tertiary Structure.
489-497
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- Krzysztof A. Olszewski, Lisa Yan, David Edwards, Tina Yeh:
From Fold Recognition to Homology Modeling: An Analysis of Protein Modeling Challenges At Different Levels of Prediction Complexity.
499-510
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- Krzysztof Pawlowski, Leszek Rychlewski, John C. Reed, Adam Godzik:
From Fold to Function Predictions: An Apoptosis Regulator Protein BID.
511-517
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- Krzysztof Kurzak:
LFP: A PC-program for Ligand-field Analysis of 3dn Ions in Oh and Lower Symmetries.
519-526
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- Krzystof T. Wojciechowski, A. Malecki:
SYMTERM - Program for Modelling Chemical Processes in Non-isothermal Conditions.
527-532
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- A. A. C. C. Pais, Jorge Luis G. C. Pereira, José Simões Redinha:
Nonlinear Regression in Parameter Estimation From Polarographic Signals.
533-539
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Volume 24,
Number 5,
2000
- V. Conraud-Warth, Frédérique Battin-Leclerc, René Fournet, Pierre-Alexandre Glaude, Guy-Marie Côme, Gérard Scacchi:
Computer Based Generation of Reaction Mechanisms for Gas-phase Oxidation.
541-560
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- Vesselin Petrov, Liudmil Antonov, Hitoshi Ehara, Nobuyuki Harada:
Step by Step Filter Based Program for Calculations of Highly Informative Derivative Curves.
561-569
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- Eduardo A. Castro, Matías Tueros, Andrey A. Toropov:
Maximum Topological Distances Based Indices As Molecular Descriptors for QSPR: 2 - Application to Aromatic Hydrocarbons.
571-576
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- George Avdelas, A. Konguetsof, Tom E. Simos:
A Generalization of Numerov's Method for the Numerical Solution of the Schrödinger Equation in Two Dimensions.
577-584
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- Andrzej J. Goraczko, Jacek A. Szymura:
Dehydrogenation Processes and Molecular Clusters in Mass Spectra of Organometallic and Coordination Compounds.
585-594
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- Jacek M. Jezowski, Hiren K. Shethna, Roman J. Bochenek, Francisco J. L. Castillo:
On Extensions of Approaches for Heat Recovery Calculations in Integrated Chemical Process Systems.
595-601
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- Emilia Wolska, C. Richard A. Catlow, Pawel Adam Piszora, Scott M. Woodley:
Structure Refinement of Quaternary Spinel Oxides - Experiments and Modelling.
603-607
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- Pawel Adam Piszora, C. Richard A. Catlow, Scott M. Woodley, Emilia Wolska:
Relationship of Crystal Structure to Interionic Interactions in the Lithium-manganese Spinel Oxides.
609-613
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- Jaroslaw Polanski, B. Walczak:
The Comparative Molecular Surface Analysis (COMSA): A Novel Tool for Molecular Design.
615-625
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Volume 24,
Number 6,
2000
Copyright © Sat May 16 23:52:16 2009
by Michael Ley (ley@uni-trier.de)
