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Year Wise Publications

                                                

                                             

List of publications in 2011

  1. Study of diversity and similarity of large chemical databases using tanimoto measure, A. S. Rao, S. D. Bhavani, T. S. Rani, S. B. Raju and G. N. Sastry, Communications in Computer and Information Science., 2011, 157, 40-50.
  2. Local and global intrinsic dimensionality estimation for better chemical space representation,M. H. Shukur, T. S. Rani, S. D. Bhavani, G. N. Sastry and S. B. Raju, Multi-disciplinary Trends in Artificial Intelligence., 2011, 7080, 329-338.
  3. Correlating binding site residues of the protein and ligand features to its functionality, B. R. Reddy, T. S. Rani, S. D. Bhavani, S. B. Raju and G. N. Sastry, Swarm, Evolutionary, and Memetic Computing., Part II, 2011, 7077, 166-173.
  4. Evaluating the efficacy of amino acids as CO2 capturing agents: A first principles investigation, M. A. Hussain, Y. Soujanya and G. N. Sastry, Environ. Sci. Technol., 2011, 45, 8582–8588.
  5. A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH3CONH2] (n = 1 - 15), A. S. Mahadevi, Y. I. Neela and G. N. Sastry, Phys. Chem. Chem. Phys., 2011, 13, 15211-15220.
  6. Viability of clathrate hydrates as CO2 capturing agents: A theoretical study, H. K. Srivastava and G. N. Sastry, J. Phys. Chem. A., 2011, 115, 7633–7637.
  7. Quantum mechanical study of physisorption of nucleobases on carbon materials: Graphene versus carbon nanotubes, D. Umadevi and G. N. Sastry, J. Phys. Chem. Lett., 2011, 2, 1572-1576.
  8. Molecular and ionic interaction with graphene nanoflakes: A computational investigation of CO2, H2O, Li, Mg, Li (+), Mg (2+) interaction with polycyclic aromatic hydrocarbons. D. Umadevi andG. N. Sastry, J. Phys. Chem. C., 2011, 115, 9656–9667.
  9. Effect of solvation onion binding to imidazole and methyl imidazole, B. Sharma, J. S. Rao and G. N. Sastry J. Phys. Chem. A.,2011, 115, 1971–1984.
  10. Sequence, analysis of p38 MAP kinase: Exploiting DFG-out conformation as a strategy to design new Type II leads, P. Badrinarayan and G. N. Sastry, J. Chem. Inf. Model., 2011, 51, 115–129.
  11. Comparison of computational methods to model DNA minor groove binders, H. K. Srivastava, M. Chourasia, D. Kumar and G. N. Sastry, J. Chem. Inf. Model., 2011, 51, 558-571.
  12. Aromatic – Aromatic Database, A2ID: An analysis of aromatic networks in proteins, M. Chourasia, G. M. Sastry and G. N. Sastry, Int. J. Biol. Macromol., 2011, 48, 540-552.
  13. Design of 1-arylsulfamido-2-alkylpiperazine derivatives as secreted PLA2 inhibitors, P. Badrinarayan, P. Srivani and G. N. Sastry, J. Mol. Model., 2011, 17, 817-831.
  14. The impact of basis set superposition error on the structure of p-p dimers. D. Vijay, H. Sakurai and G. N. Sastry, Int. J. Quantum Chem., 2011, 111, 1893-1901.
  15. Analysis of HIV protease binding pockets based on 3D shape and electrostatic potential descriptors, A. S. Reddy, V. Jallahalli, R. Garg, X. Zhang, G. N. Sastry, S. Kumar, Chem. Biol. Drug. Des., 2011, 77, 137–151.
  16. A theoretical study on interaction of cyclopentadienyl ligand with akali and alkaline earth metals, A. S. Mahadevi and G. N. Sastry, J. Phys. Chem. B., 2011, 115, 703-710.
  17. Differentiation of isomeric 2-aryldimethyl tetrahydro-5-quinolones by electron ionization and electron spray ionization mass spectrometry, C. D. Kumar, N. V. Chary, V. A. Dinesh, S. P. Reddy, K. Srinivas, G. Gayatri, G. N. Sastry and S. Prabhakar, Rapid Commun. Mass Spectrom., 2011, 25, 2815–2827.
  18. nalogue based approaches in anticancer compound modelling: The relevance of QSAR models, M. Bohari, H. K. Srivastava and G. N. Sastry, Org. Med. Chem. Lett., 2011, 1, 3.
  19. Carbazole-pyrrolo[2,1-c] [1,4] benzodiazepine conjugates: Design, synthesis, and biological evaluation, A. Kamal, R. V. Shetti, M. J. Rmaiah, P. Swapna, K. S. Reddy, A. Mallareddy, M. P. N. Rao, M. Chourasia, G. N. Sastry, A. Juvekar, S. Zingde, P. Sarma, S. N. Pushpavalli, M. P. Bhadra,Med. Chem. Comm., 2011, 2, 780-788.
  20. Virtual high-throughput screening in new lead identification, P. Badrinarayan and G. N. Sastry, Comb. Chem. High Thr. Scr., 2011, 14, 840-860.
  21. Propargyl/Methyl furanosides as potential glycosyl donors, S. R. Vidadala, G. Gayatri, G. N. Sastry and S. Hotha, Chem. Comm., 2011, 47, 9906-9908.
  22. Oxidative properties of a nonheme Ni(II)(O2) complex: Reactivity patterns for C-H activation, aromatic hydroxylation and heteroatom oxidation, R. Latifi, L. Tahsini, D. Kumar, G. N. Sastry, W. Nam and S. P. de Visser, Chem. Comm., 2011, 47, 10674-10676.
  23. Effect of the axial ligand on substrate sulfoxidation mediated by iron(IV)–Oxo porphyrin cation radical oxidants, D. Kumar, G. N. Sastry and S. P. de Visser, Chem. Eur. J., 2011, 17, 6196–6205.
  24. Effect of alkyl substitution on H-bond strength of substituted amide-alcohol complexes, M. Nagaraju and G. N. Sastry, J. Mol. Model., 2011, 17, 1801–1816.
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