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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT

Current Issue - January 2012, Volume 11, Number 1
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A Personal View of Chemistry (with Emphasis to Mathematical Chemistry) as Science and Art Alexandru T. Balaban Abstract and PDF Paper	1-22
The Nature of Absorption Electronic Spectrums of Porphyrin-Fullerene Dyads with a Different Type of Bonding Pavel O. Krasnov, Yuliya M. Milyutina, and Natalya S. Eliseeva Abstract and PDF Paper	20-32
Predictive Comparative QSAR Modeling of 4-Pyridones as Potent Antimalarials Nilanjan Adhikari, Milan Kumar Maiti, and Tarun Jha Abstract and PDF Paper	1-19
Quantitative Structure-Activity Relationships (QSAR) for the Antimicrobial Activity of 1,2,4-Triazoles Neeraj Upmanyu, Surya Prakash B. N. Gupta, Gopal Garg, Arun Kumar Gupta, and Pradeep Mishra Abstract and PDF Paper	63-71
Computational Prediction of Potent Therapeutic Targets of Pseudomonas aeruginosa and In Silico Virtual Screening for Novel Inhibitors Pradeep K. Naik, Seneha Santoshi, and Ashima Birmani Abstract and PDF Paper	42-62
Analog Based Studies on Cathepsin B Inhibitors to Design Novel Lead Compounds for the Treatment of Cancer L. Jayashankar, B. Syama Sundar, Shruti Awasthi, and B. Madhulika Abstract and PDF Paper	29-41
Design of New Chemicals Entities as Selective COX-2 Inhibitors using Structure Optimization by Molecular Modeling Studies Shashikant Bhandari, Kailash Bothara, Vidya Pawar, Deepak Lokwani, and Titiksh Devale Abstract and PDF Paper	14-28
QSAR Study on Coumarins as Antimeningoencephalitic Agents Tarun Jha, Parna Chakrabortty, Nilanjan Adhikari, Amit Kumar Halder, and Milan Kumar Maity Abstract and PDF Paper	1-13
Application of Molecular Topology to Predict the Inhibition of Trypanosoma cruzi Cruzain by Thiosemicarbazones Ramón García-Domenech, Luciana Barbosa, Matilde Lacarra, Mauricio Salazar, and Jorge Gálvez Abstract and PDF Paper	260-273
QSAR Study On Some Orally Active Uracil Derivatives as Human Gonadotropin-Releasing-Hormone Receptor Antagonists Tarun Jha, Soma Samanta, Soumya Basu, Amit Kumar Halder, Nilanjan Adhikari, and Milan Kumar Maiti Abstract and PDF Paper	234-250
On the Degeneracy of Molecular Identification Number MID06 Damir Vukičević and Tanja Vojković Abstract and PDF Paper	216-224
Distance-Related Molecular Descriptors Bono Lučić, Sonja Nikolić, and Nenad Trinajstić Abstract and PDF Paper	195-206
2D-QSAR Autocorrelation Study on Selective COX-2 Inhibitors Safia Taïri-Kellou, Souhila Bouaziz-Terrachet, Boubekeur Maouche, and Gilles Moreau Abstract and PDF Paper	161-185
Three-Dimensional Molecular Field Analysis of Dihydroindazolocarbazole Analogues of KDR and Tie-2 Receptor Tyrosine Kinase Inhibitors Neha Kansal, Om Silakari, and Muttineni Ravikumar Abstract and PDF Paper	142-151
Docking and QSAR Studies for Inhibitors of Thymidylate Synthase Kotni Meena Kumari, Sivan Sree Kanth, and Manga Vijjulatha Abstract and PDF Paper	131-141
The Calcium Ion and Conserved Water Molecules in Neuraminidases: Roles and Implications for Substrate Binding Gang Yang, Zhiwei Yang, Yuangang Zu, Xiaomin Wu, and Yujie Fu Abstract and PDF Paper	97-113
Application of the Four-Parameter Diatomic Potential in Molecular Mechanics Force Fields Teik-Cheng Lim Abstract and PDF Paper	77-87
Computational Modeling of Substitution Effect on HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Kier-Hall Electrotopological State (E-state) Indices Nitin S. Sapre, Nilanjana Pancholi, and Swagata Gupta Abstract and PDF Paper	55-67
3D-QSAR (Quantitative Structure-Activity Relationships) Studies on Urea Derivatives as Inhibitors of p38 MAP Kinase Rituparna Sarma, Sharat Sinha, Muttineni Ravikumar, Madala Kishore Kumar, and Shaik Mahmood Abstract and PDF Paper	38-46
Computer-Aided Drug Design of Peptide Deformylase (PDF) Inhibitors: A Docking Molecular Modeling Study Fancui Meng, Weiren Xu, and Xian Zhao Abstract and PDF Paper	1-11
Comparative Modeling and Docking Studies of Mycobacterium tuberculosis H37RV rpoB Protein P. Nataraj Sekhar, P. B. Kavi Kishor, V. C. K. Reddy, E. Prem Kumar, A. Anitha, Ranjith Kumar M., and L. Ananda Reddy Abstract and PDF Paper	12-29
Further Results on the Largest Eigenvalues of the Distance Matrix and Some Distance-Based Matrices of Connected (Molecular) Graphs Bo Zhou and Nenad Trinajstić Abstract and PDF Paper	375-384
Comparative Molecular Field Analysis (CoMFA) for p38 Inhibitors Munuganti Ravi Shashi Nayana and Yadavalli Nataraja Sekhar Abstract and PDF Paper	385-395
Quantitative Structure-Retention Relationships for the Gas Chromatographic Retention Indices of Oxygen Containing Organic Compounds Palagiri Tulasamma and Kalluru Subramanyam Reddy Abstract and PDF Paper	345-362
QSAR Prediction of HIV-1 Reverse Transcriptase Inhibitory Activity of Benzoxazinone Derivatives Veerasamy Ravichandran, Vishnu Kant Mourya, and Ram Kishore Agrawal Abstract and PDF Paper	363-374
3D-QSAR CoMFA Study on Human Glutaminyl Cyclase Inhibitors Munuganti Ravi Shashi Nayana, Yadavalli Nataraja Sekhar, Nunna Siva Kumari, and Shaik Mahmood Abstract and PDF Paper	320-330
Monty Kier and the Origin of the Pharmacophore Concept John H. Van Drie Abstract and PDF Paper	271-279
QSAR for Analogs of 1,5-N,N'-Disubstituted-2-(substituted benzenesulphonyl) Glutamamides as Antitumor Agents Parthasarathi Panda, Soma Samanta, Sk. Mahasin Alam, Soumya Basu, and Tarun Jha Abstract and PDF Paper	280-301
Theoretical Study of Atomic Hydrogen Diffusion on the Surface of Carbon Nanotubes of Various Diameters and Chiralities Alexander A. Kuzubov, Roman P. Avramov, Maria A. Raimova, Tatiana A. Kozhevnikova, Julia M. Milyutina, and Pavel O. Krasnov Abstract and PDF Paper	302-310

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Internet Electronic Conference of Molecular Design 2004
IECMD 2004, November 29 - December 12