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

TABLE OF CONTENTS - January 2012, Volume 11, Number 1
All PDF papers are free to download and print

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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
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
Predictive Comparative QSAR Modeling of 4-Pyridones as Potent Antimalarials
Nilanjan Adhikari, Milan Kumar Maiti, and Tarun Jha
Abstract and PDF Paper
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
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
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
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
QSAR Study on Coumarins as Antimeningoencephalitic Agents
Tarun Jha, Parna Chakrabortty, Nilanjan Adhikari, Amit Kumar Halder, and Milan Kumar Maity
Abstract and PDF Paper
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
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
On the Degeneracy of Molecular Identification Number MID06
Damir Vukičević and Tanja Vojković
Abstract and PDF Paper
Distance-Related Molecular Descriptors
Bono Lučić, Sonja Nikolić, and Nenad Trinajstić
Abstract and PDF Paper
2D-QSAR Autocorrelation Study on Selective COX-2 Inhibitors
Safia Taïri-Kellou, Souhila Bouaziz-Terrachet, Boubekeur Maouche, and Gilles Moreau
Abstract and PDF Paper
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
Docking and QSAR Studies for Inhibitors of Thymidylate Synthase
Kotni Meena Kumari, Sivan Sree Kanth, and Manga Vijjulatha
Abstract and PDF Paper
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
Application of the Four-Parameter Diatomic Potential in Molecular Mechanics Force Fields
Teik-Cheng Lim
Abstract and PDF Paper
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
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
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
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
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
Comparative Molecular Field Analysis (CoMFA) for p38 Inhibitors
Munuganti Ravi Shashi Nayana and Yadavalli Nataraja Sekhar
Abstract and PDF Paper
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
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
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
Monty Kier and the Origin of the Pharmacophore Concept
John H. Van Drie
Abstract and PDF Paper
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
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
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