A theoretical investigation of the regio- and stereoselectivities of the �Ž�²-himachalene
Author(s): A. Zeroual, R. Hammal, A. Benharref and A. El Hajbi
QSAR and anticancer drug design of �Ž�²-Carboline compounds utilizing computed molecular descriptors
Author(s): Ruby Yadav and Sisir Nandi
Structural and immunogenicity prediction of asp o21 allergen from Aspergillus Oryzae Ã?¢Ã?â?¬Ã?â?? An immunoinformatics approach
Author(s): Mrinalini J. Singh and S. Padmavathy
Two different antibacterial activities against Staphylococcus aureus and Bacillus subtilis of 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazine derivatives. Studies by combining DFT and QSAR results
Author(s): Azeddine Adad, Majdouline Larif, Rachid Hmamouchi, Mohammed Bouachrine and Tahar Lakhlifi
Structure activity and prediction of biological activities of compound (2-methyl-6-phenylethynylpyridine) derivatives relationships rely on electronic and topological descriptors
Author(s): R. Hmamouchi, M. Larif, A. Adad, M. Bouachrine and T. Lakhlifi
New organic materials based on TTF-pyrazine for photovoltaic applications: Quantum chemical investigations
Author(s): F. Agda, H. Sadki, H. Zgou, M. N. Bennani, M. Taleb, M. Hamidi and M. Bouachrine
Theoretical studies on the interaction of PdO3 superhalogen with Ca atom
Author(s): Ambrish Kumar Srivastava and Neeraj Misra
A note on the relationships between electronic structure and inhibition of Chikungunya virus replication by a group of [1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one derivatives
Author(s): Juan S. Gómez-Jeria
Toxicity in-vivo of nitro-aromatic compounds: DFT and QSAR results
Author(s): B. Elidrissi, A. Ousaa, M. Ghamali, S. Chtita, M. A. Ajana, M. Bouachrine and T. Lakhlifi
Electronic and photovoltaic properties of new materials based on 6-monosubstituted and 3,6-disubstituted acridines and their application to design novel materials for organic solar cells
Author(s): T. Abram, S. Chtita, L. Bejjit, M. Bouachrine, T. Lakhlifi
Acute toxicity of halogenated phenols: Combining DFT and QSAR studies
Author(s): A. Ousaa, B. Elidrissi, M. Ghamali, S. Chtita, M. Bouachrine and T. Lakhlifi
Ligand based pharmacophore generation and 3D-QSAR study of serotonin ligands using PHASE
Author(s): Vinaykumar S. Velingkar and Anil K. Chindhe
