Subject: CCL IECMD 2003 - Registration and preview of accepted papers

From: IEJMD <iejmd-.at.-yahoo.com>
Date: Mon, 10 Nov 2003 10:44:05 -0800 (PST)

Internet Electronic Conference of Molecular Design 2003,
IECMD 2003, November 23 - December 6, http://www.biochempress.com

Registration is open!

Discussions of the IECMD 2003 papers will take place on the Web,
using the Yahoo! group iecmd2003. 
Please visit the IECMD 2003 discussion site at
http://groups.yahoo.com/group/iecmd2003 to sign-up and
send comments to the group. 

IECMD 2003 News:

 To subscribe, send an E-mail to: iecmd2003-subscribe-.at.-yahoogroups.com 
 To post a message, send an E-mail to: iecmd2003-.at.-yahoogroups.com 
 Send a confidential comment about a paper to: iejmd-.at.-yahoo.com 
 Extended deadline for sending the papers: November 20, 2003 
 Send the paper as a Word file to: oiivanci-.at.-utmb.edu 

IECMD 2003 - Preview of accepted papers
All papers can be downloaded as PDF files from http://www.biochempress.com

 1. The Reduced Overall Wiener Index 
 Xinhua Li, Maolin Hu, and Hongping Xiao

 2. TOPS-MODE Versus DRAGON Descriptors in QSAR. 1. Skin Permeation 
 Maykel Perez Gonzalez and Aliuska Morales Helguera

 3. TOPS-MODE Versus DRAGON Descriptors in QSAR. 2. Chromatographic Properties 
 Maykel Perez Gonzalez and Aliuska Morales Helguera

 4. Quantitative Structure-Activity Relationship Study of Bisphosphonates 
 Aihua Xie, Chenzhong Liao, Zhibin Li, Zhiqiang Ning, Weiming Hu, Xianping Lu,
Leming Shi, and Jiaju Zhou

 5. Condensed Matrix: A Tool to Characterize DNA 
 Nadia L. Helal

 6. TOPS-MODE Versus DRAGON Descriptors in QSAR. 3. Soils Sorption 
 Maykel Perez Gonzalez, Miguel Angel Cabrera Perez, Reinaldo Molina Ruiz, and
Ronal Ramos de Armas

 7. A Simple Method for Characterization and Similarity Analysis of DNA
Sequences 
 Chun Li and Jun Wang

 8. Theoretical study of interaction between adenine and M+ (M = Li, Na, K, Rb,
Cs) and M2+ (M = Mg, Ca, Sr, Ba) 
 M. Monajjemi, S. Ketabi, R. Ghiasi, K. Zare, H. Passdar, M.Karimkhani, and
L.Saedi

 9. A New Generalized Concept of Chemical Reactivity and Selectivity 
 Pratim Kumar Chattaraj and Utpal Sarkar

 10. The Effects of Substituents and Solvents on the Conformation of
Benzophenones 
 Athena Mantas, Sonia E. Blanco, and Ferdinando H. Ferretti

 11. Fluorine-Substituted Phenols as Probes to Study Intermolecular Proton
Transfer Induced by Excess Electron Attachment to Uracil-Phenol Complexes 
 Maciej Haranczyk and Maciej Gutowski

 12. Computational Chemical Analysis of Enantiomer Separations of Derivatized
Amino Acids in Reversed-phase Liquid Chromatography 
 Toshihiko Hanai

 13. QSAR Study on Some Antirhino/Enteroviral Vinylacetylene Benzimidazoles 
 Shovanlal Gayen, Bikash Debnath, and Tarun Jha

 14. Inhomogeneous Sequences of Letters in DNA, Proteins and Languages 
 Jurgen Hauck and Klaus Mika

 15. Effect of Twist Angle on Calculated Second Order Non Linear Responses of
Novel Charge Transfer Molecular Systems 
 K. M. Nalin de Silva

 16. Theoretical Analysis of the Reactive Sites of Non-steroidal
Anti-inflammatory Drugs 
 Nora Okulik and Alicia H. Jubert

 17. Analysis of Permanent Electric Dipole Moments of Aliphatic Amines 
 Boris Lakard

 18. Computer-Aided Design of Selective COX-2 Inhibitors: Molecular Docking of
Structurally Diverse Cyclooxygenase-2 Inhibitors using FlexX Method 
 Asit K. Chakraborti and Ramasamy Thilagavathi

 19. Phase Transitions in 2D Ising Model with Competing Interactions 
 V. O. Cheranovskii, T. O. Kuznetsova, and I. Ozkan

 20. Towards a Generic Model of Catalysis 
 Martin Grayson and Stefan Janusz

 21. The Influence of Sequence Variability and Dimerisation on Mannose Binding
in Monocot Manose Binding Lectins 
 A. C. Tanczos, D. A. Faux, D. C. Povey, and B. J. Howlin
 22. On the Existence of the Butterfly Isomer of Al2H2: Ab Initio
Coupled-Cluster Study 
 Jerzy Moc and Maria Wierzejewska

 23. Reaction Constants Derived from Activation Parameters for the Evaluation
of Substituent and Solvent Effects 
 Ferenc Ruff

 24. Classification of Polar and Nonpolar Aquatic Pollutants Using Simple
Descriptors. Differences between Polarity Prediction and Narcosis
Classification 
 Guido Sello

 25. 3D-QSAR of Protein Tyrosine Phosphatase 1B Inhibitors by Genetic Functions
Approximation 
 Sree M. Vadlamudi and Vithal M. Kularni

 26. Periodic Table of Carbon Nanotubes Based on the Chiral Vector 
 Francisco Torrens

 27. About Hydration of Mg2+: a Quantum DFT Study 
 Martine Adrian-Scotto, Diana Vasileva, Georges Mallet, and Dan Vasilescu

 28. A Traditional Chinese Medicine Plant-Compound Database and it's
Application for Searching 
 Aijun Lu, Bing Liu, Haibo Liu, Jiaju Zhou, and Guirong Xie

 29. A Simple Algorithm to Unique Representation of Chemical Structure -
Cyclic/ Acyclic Functionalized Non-Chiral Hydrocarbons 
 Yenamandra S. Prabhakar

 30. Experimental and DFT Study on Methylbenzenes-Silver(I) Ion Complexes
Thermodynamics 
 Tatyana E. Shubina, Igor A. Levandovskiy, Vladimir N. Rodionov, Boris V.
Chernyaev, and Andrey A. Fokin

 31. Neural Networks for Secondary Metabolites Prediction in Artemisia Genus
(Asteraceae) 
 Tanja Schwabe, Marcelo J. P. Ferreira, Sandra A. V. Alvarenga, and Vicente P.
Emerenciano

 32. Computer-aided Identification of Chemical Constituents Isolated from
Cybistax antisyphilitica 
 Maria Paula P. Ramos, Marcelo J. P. Ferreira, Lousa Lopes, and Vicente P.
Emerenciano

 33. 13C NMR Pattern Recognition of Guaiane Sesquiterpenes 
 Marcelo J. P. Ferreira, Francimeiry C. Oliveira, Gilberto V. Rodrigues, and
Vicente P. Emerenciano

 34. Use of an Expert System in Lignan Skeleton Prediction from 1H NMR Data 
 Mara B. Costantin, Marcelo J. P. Ferreira, Gilberto V. Rodrigues, and Vicente
P. Emerenciano

 35. Theoretical Investigation of the One-photon and Two-photon Absorption
Properties for Star-shaped Polycyclic Aromatic Based on
 Oligothiophenes-Functionalized Truxenone 
 Xin Zhou, Ai-Min Ren, Ji-Kang Feng, and Xiao-Juan Liu

 36. Holographic Quantitative Structure-Activity Relationship for Prediction
Acute Toxicity of Benzene Derivatives to the Guppy (Poecilia reticulata) 
 Huang Hong, Wang Xiao-Dong, Dai Xuan-Li, Yue Ya-Juan, and Wang Lian-Sheng

 37. Ligand-based Computation of HIV-1 Integrase Inhibition Strength within a
Series of &beta;-ketoamide Derivatives 
 Frederik F. D. Daeyaert, H. Maarten Vinkers, Marc R. de Jonge, Jan Heeres,
Lucien M. H. Koymans, Paul J. Lewi, and Paul A. J. Janssen
 38. Inclusion of Adamantanol on Fluorescent &beta;-cyclodextrine Derivatives.
Theoretical Study by Molecular Mechanics and Quantum Semi-empirical
 Methods 
 Francois Delattre, Patrice Woisel, Francine Cazier, Patrick Decock, and
Gheorghe Surpateanu

 39. Tetrandrine as Host Partner in Molecular Recognition Phenomenon.
Experimental and Theoretical Study on the Complexation of Tetrandrine with
Calcium
 and Magnesium Cations 
 Ioana Stanculescu, Cristina Mandravel, Francois Delattre, David Landy, Sophie
Fourmentin, Patrice Woisel, and Gheorghe Surpateanu

 40. Joint Treatment Of Large-Amplitude Motions In Free Molecules Using
Spectroscopic, Electron Diffraction And Ab Initio Data 
 I. V. Kochikov, Yu. I. Tarasov, B. K. Novosadov, N. Vogt, A. V. Stepanova, D.
M. Kovtun, and J. Vogt

 41. Internal Rotation Of NO2 Group In Lower Nitroalkanes From Quantum Chemical
Calculations 
 Yu. I. Tarasov, A. V. Stepanova, D. M. Kovtun, I. V. Kochikov, B. K.
Novosadov, N. Vogt, and J. Vogt

 42. QSPR Modeling The Aqueous Solubility Of Polychlorinated Biphenyls By
Optimization Of Correlation Weights Of Local And Global Graph Invariants 
 E. A. Castro, A. A. Toropov, A. I. Nesterova, and O. M. Nabiev

 43. The role of type II FB(I): Tl+ defect in laser light generation and color
image formation at the low coordination surface sites of AgBr : ab initio
calculations 
 A. S. Shalabi, A. S. Algaber, N. K. Madi, Kh. M. Eid, and Z. M. Fathy

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