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ORCIDComputational Biology and Chemistry, Volume 27
Volume 27, Number 1, February 2003
- M. James C. Crabbe, Andrzej K. Konopka:
Editorial. 3 - Wentian Li
, Pedro Bernaola-Galván, Pedro Carpena, José 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 J. 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, Yisheng 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, Yisheng Zhu, Baohua Wang, Yi-Xue Li:
Identification of -barrel membrane proteins based on amino acid composition properties and predicted secondary structure. 355-361 - Qingzhang Lü, Guo-Li Shen, Ru-Qin Yu:
A chaotic approach to maintain the population diversity of genetic algorithm in network training. 363-371 - 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 Daniel Mozo, Emilio Roldán, Manuel María Domínguez:
Development of high-frequency true-linear generator for electrochemical purposes. 387-391 - S. P. Patil, Ganapati 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]. Comput. Biol. Chem. 27(3): 443 (2003) - 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, Xiufan Shi, Huai Cao, Weibo 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 - Hong Lin 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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