Computational Biology and Chemistry, Volume 27

Volume 27, Number 1, February 2003

• M. James C. Crabbe, Andrzej K. Konopka:
  Editorial. 3
  
• Wentian Li, Pedro Bernaola-Galvádro Carpena, Jose L. Oliver:
  Isochores merit the prefix 'iso'. 5-10
  
• William R. Taylor, Bing Xiao, Steven J. Gamblin, Kuang Lin:
  A knot or not a knot? SETting the record 'straight' on proteins. 11-15
  
• M. James C. Crabbe, David J. Smith:
  Computer modelling and estimation of recruitment patterns of non-branching coral colonies at three sites in the Wakatobi Marine Park, S.E. Sulawesi, Indonesia; implications for coral reef conservation. 17-27
  
• Christine Chichester, Frédéric Nikitin, Jean-Christophe Ravarini, Frédérique Lisacek:
  Consistency checks for characterizing protein forms. 29-35
  
• Cathy H. Wu, Hongzhan Huang, Lai-Su L. Yeh, Winona C. Barker:
  Protein family classification and functional annotation. 37-47
  
• Alexandre Gattiker, Karine Michoud, Catherine Rivoire, Andrea H. Auchincloss, Elisabeth Coudert, Tania Lima, Paul Kersey, Marco Pagni, Christian J. A. Sigrist, Corinne Lachaize, Anne-Lise Veuthey, Elisabeth Gasteiger, Amos Bairoch:
  Automated annotation of microbial proteomes in SWISS-PROT. 49-58
  
• Nicolas Luc, Jean-Loup Risler, Anne Bergeron, Mathieu Raffinot:
  Gene teams: a new formalization of gene clusters for comparative genomics. 59-67
  
• Qi Liu, Yi-Sheng Zhu, Baohua Wang, Yi-Xue Li:
  A HMM-based method to predict the transmembrane regions of \beta-barrel membrane proteins. 69-76
  
• Lawrence H. Smith, Lana Yeganova, W. John Wilbur:
  Hidden Markov models and optimized sequence alignments. 77-84
  
• Gilles Caporossi, Ivan Gutman, Pierre Hansen, Ljiljana Pavlovic:
  Graphs with maximum connectivity index. 85-90
  

Volume 27, Number 2, May 2003

• Andrzej K. Konopka:
  Selected dreams and nightmares about computational biology. 91-92
  
• Kuang Lin, Jens Kleinjung, William R. Taylor, Jaap Heringa:
  Testing homology with Contact Accepted mutatiOn (CAO): a contact-based Markov model of protein evolution. 93-102
  
• William R. Taylor, Robin E. J. Munro, Kjell Petersen, Robert P. Bywater:
  Ab initio modelling of the N-terminal domain of the secretin receptors. 103-114
  
• B. Samuel Lattimore, M. James C. Crabbe:
  Expression profiles in the progression of ductal carcinoma in the breast. 115-120
  
• David Harel, Liran Carmel, Doron Lancet:
  Towards an odor communication system. 121-133
  
• Christina L. Zheng, Fariba Fana, Poornaprajna V. Udupi, Michael Gribskov:
  a program for automatic generation of database interfaces . 135-139
  
• Mustafa Bayram, Ercan Çelik:
  Application of computer algebra-techniques to metabolic control analysis. 141-146
  
• Sreekanth B. Jonnalagadda, N. Parumasur, M. N. Shezi:
  A user-friendly programme 'simkine' for simulation of kinetics involving complex reaction mechanisms. 147-152
  
• Jacques Gabarro-Arpa:
  A central partition of molecular conformational space: I. Basic structures. 153-159
  
• M. James C. Crabbe:
  Enzyme kinetics: a modern approach: Edited by A.G. Marangoni, 2003, 229 pp. ISBN 0471159859. 161-162
  

Volume 27, Number 3, July 2003

• Jingwen Chen, Xingya Xue, Karl-Werner Schramm, Xie Quan, Fenglin Yang, Antonius Kettrup:
  Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p, p?-DDT. 165-171
  
• K. Senthilkumar, P. Kolandaivel:
  Structure, conformation and NMR studies on 1, 2-dioxane and halogen substituted 1, 2-dioxane molecules. 173-183
  
• Vladimir Volgin, O. V. Volgina, Alexei D. Davydov:
  Finite difference method of simulation of non-steady-state ion transfer in electrochemical systems with allowance for migration. 185-196
  
• Luis Fernández Pacios:
  Check Den: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density. 197-209
  
• Kiyoshi Hasegawa, Masamoto Arakawa, Kimito Funatsu:
  Simultaneous determination of bioactive conformations and alignment rules by multi-way PLS modeling. 211-216
  
• Humberto González Díaz, Ivan Hernández Sánchez, Eugenio Uriarte, Lourdes Santana:
  Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of \sigma-receptor antagonist activities. 217-227
  
• Chunyang Liao, Zhitao Chen, Zihui Yin, Shengshi Z. Li:
  Preliminary approach to estimation and prediction of infrared spectroscopy for Mannich bases by atomic electronegativity distance vector (VAED). 229-239
  
• Rajani R. Joshi, S. Jyothi:
  Ab-initio prediction and reliability of protein structural genomics by PROPAINOR algorithm. 241-252
  
• Dieter Britz, Ole Østerby, Jörg Strutwolf:
  Damping of Crank-Nicolson error oscillations. 253-263
  
• Kenji Okada, Keiichi Noguchi, Kenji Okuyama, Struther Arnott:
  Win lals for a linked-atom least-square refinement program for helical polymers on windows PCs. 265-285
  
• Yaqiu Chen, Shangxu Hu, Dezhao Chen:
  Combinative neural network and its applications. 287-295
  
• Abolghasem Jouyban, Behrooz Hooshyar Yousefi:
  A quantitative structure property relationship study of electrophoretic mobility of analytes in capillary zone electrophoresis. 297-303
  
• Ernesto Estrada:
  Application of a novel graph-theoretic folding degree index to the study of steroid-DB3 antibody binding affinity. 305-313
  
• Leslaw K. Bieniasz:
  High order accurate, one-sided finite-difference approximations to concentration gradients at the boundaries, for the simulation of electrochemical reaction-diffusion problems in one-dimensional space geometry. 315-325
  
• Dieter Britz, Jörg Strutwolf:
  Higher-order spatial discretisations in electrochemical digital simulations. Part 4. Discretisation on an arbitrarily spaced grid. 327-337
  
• Yiping Du, Yizeng Liang:
  Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit. 339-353
  
• Qi Liu, Yi-Sheng Zhu, Baohua Wang, Yi-Xue Li:
  Identification of -barrel membrane proteins based on amino acid composition properties and predicted secondary structure. 355-361
  
• Lixia Jin, Weiwu Fang, Huanwen Tang:
  Prediction of protein structural classes by a new measure of information discrepancy. 373-380
  
• Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, Kimito Funatsu:
  Multi-way PLS modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface. 381-386
  
• Juan D. Mozo, Emilio Roldán, Manuel María Domínguez:
  Development of high-frequency true-linear generator for electrochemical purposes. 387-391
  
• S. P. Patil, G. D. Yadav:
  Selective acylation of 2 methoxynaphthalene by large pore zeolites: catalyst selection through molecular modeling. 393-404
  
• Jingwen Chen, Tom Harner, Karl-Werner Schramm, Xie Quan, Xingya Xue, Antonius Kettrup:
  Quantitative relationships between molecular structures, environmental temperatures and octanol-air partition coefficients of polychlorinated biphenyls. 405-421
  
• Nasser A. M. Barakat, Zeng-Ping Chen, Jiang-Hui Jiang, Ru-Qin Yu:
  Geometrical bounding of data space and nonlinear classification of chemical data using MPGA algorithm. 423-430
  
• Miroslav Pinak:
  Electrostatic energy analysis of 8-oxoguanine DNA lesion--molecular dynamics study. 431-441
  
• Tatiana V. Levitina, Erkki J. Brändas: Erratum to "Angle dependent total cross sections and the optical theorem": [Computational Chemistry and Biology 25(1) (2001) 55-67]. 443
• Tatiana V. Levitina, Erkki J. Brändas:
  Angle dependent total cross sections and the optical theorem. 445-457
  

Volume 27, Number 4-5, October 2003

• Robert B. Macgregor Jr., Gregory M. K. Poon:
  The DNA double helix fifty years on. 461-467
  
• Elizabeth L. Weitzke, Peter J. Ortoleva:
  Simulating cellular dynamics through a coupled transcription, translation, metabolic model. 469-480
  
• Frédéric Nikitin, Frédérique Lisacek:
  Investigating protein domain combinations in complete proteomes. 481-495
  
• Jing Zhang, Jun Hu, Xiu-fan Shi, Huai Cao, Wei-bo Liu:
  Detection of potential positive regulatory motifs of transcription in yeast introns by comparative analysis of oligonucleotide frequencies. 497-506
  
• M. James C. Crabbe, Lee R. Cooper, David W. Corne:
  Use of essential and molecular dynamics to study B-crystallin unfolding after non-enzymic post-translational modifications. 507-510
  
• Victor A. Simossis, Jaap Heringa:
  The PRALINE online server: optimising progressive multiple alignment on the web. 511-519
  
• M. James C. Crabbe, David J. Smith:
  Erratum to "Computer modelling and estimation of recruitment patterns of non-branching coral colonies at three sites in Wakatobi Marine Park, S.E. Sulawesi, Indonesia; implications for coral reef conservation": [Computational Biology and Chemistry 27 (2003) 17-27]. 521
  

Volume 27, Number 6, December 2003

• Robert E. Ulanowicz:
  Some steps toward a central theory of ecosystem dynamics. 523-530
  
• Akinori Hirashima, Eiichi Kuwano, Morifusa Eto:
  Comparative receptor surface analysis of octopaminergic antagonists for the locust neuronal octopamine receptor. 531-540
  
• Davor Juretic, Pasko Zupanovic:
  Photosynthetic models with maximum entropy production in irreversible charge transfer steps. 541-553
  
• Rupali N. Kalate, Sanjeev S. Tambe, Bhaskar D. Kulkarni:
  Artificial neural networks for prediction of mycobacterial promoter sequences. 555-564
  
• T. Murlidharan Nair, Christina L. Zheng, J. Lynn Fink, Robert O. Stuart, Michael Gribskov:
  Rival penalized competitive learning (RPCL): a topology-determining algorithm for analyzing gene expression data. 565-574
  
• Lee R. Cooper, David W. Corne, M. James C. Crabbe:
  Use of a novel Hill-climbing genetic algorithm in protein folding simulations. 575-580
  
• Honglin Zhai, Xingguo Chen, Zhide Hu:
  Study on the relationship between intake of trace elements and breast cancer mortality with chemometric methods. 581-586
  

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