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Year Wise Publications

                                                

                                             

List of publications in 2015

  1. Deciphering the Dynamics of Non-Covalent Interactions Affecting Thermal Stability of a Protein: Molecular Dynamics Study on Point Mutant of Thermus thermophilus Isopropylmalate Dehydrogenase, Sharma R. and G.N. Sastry, PLoS ONE., 2015, 10(12): e0144294.
  2. Quantifying cooperativity in water clusters: An attempt towards obtaining a generalized equation, S. Saha and G. N. Sastry, Mol. Phys., 2015, 113, 3031-3041.
  3. Computational Design of Functionalized Imidazolate Linkers of Zeolitic Imidazolate Frameworks for Enhanced CO2 Adsorption, M. A. Hussain, Y. Soujanya and G. N. Sastry, J. Phys. Chem. C., 2015, 119, 23607–23618.
  4. Graphane versus Graphene: A Computational Investigation of the Interaction of Nucleobases, Aminoacids, Heterocycles, Small Molecules (CO2, H2O, NH3, CH4, H2), Metal Ions and Oniom Ions, D. Umadevi and G. N. Sastry, Phys. Chem. Chem. Phys., 2015, 17, 30260-30269. [Selected as the inside front cover page of Issue 45, 2015]
  5. Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other, S. Saha and G. N. Sastry, J. Phys. Chem. B., 2015, 119, 11121-11135.
  6. Design and Synthesis of 3-(3-((9H-carbazol-4-yl) oxy)-2-hydroxypropyl)-2-phenylquinazolin-4(3H)-one derivatives to induce ACE inhibitory activity, R. Venkatesh, S. Kasaboina, H. K. Gaikwad, S. Janardhan, R. Bantu, L. Nagarapu, G. N. Sastry and S. K. Banerjee, Eur. J. Med. Chem., 2015, 96, 22-29.
  7. Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase, C. Choudhury, U. D. Priyakumar and G. N. Sastry, J. Chem. Inf. Model., 2015, 55, 848-860. [Selected as the cover page of Issue 4, April 2015]
  8. Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells, R. Venkatesh, M. J. Ramaiah, H. K. Gaikwad, S. Janardhan, R. Bantu, L. Nagarapu, G. N. Sastry, A. R. Ganesh and M. Bhadra, Eur. J. Med. Chem., 2015, 94, 87-101.
  9. Molecular design of corrole-based D-p-A sensitizers for dye-sensitized solar cell applications,M. Srikanth, Y. Soujanya and G. N. Sastry, Int. J. Quantum Chem., 2015, 115, 745-752. [Selected as the cover page of Issue 12, June 2015]
  10. Energy Decomposition Analysis of Cation-p, Metal Ion-Lone Pair, Hydrogen Bonded, Charge Assisted Hydrogen Bonded and p-p Interactions, B. Sharma, H. K. Srivastava, G. Gayatri and G. N. Sastry, J. Comp. Chem., 2015, 36, 529-538.
  11. Design and Synthesis of Tröger’s Base Ditopic Receptors: Host-Guest Interactions, a Combined Theoretical and Experimental Study, M. B. Reddy, M. Shailaja, A. Manjula, J. Richard Premkumar, G. N. Sastry, K. Sirisha, and A. V. S. Sarma, Org. Biomol. Chem., 2015, 13, 1141-1149.
  12. Theoretical investigation of anion (F-, Cl-) and cation (Na+) interactions with substituted benzene [C6H6-nYn (Y = -F, -CN, -NO2; n = 1-6)], Y. I. Neela and G. N. Sastry, Mol. Phys., 2015, 113, 137-148.
  13. Estimating the Binding Ability of Onium Ions with CO2 and p Systems: A Computational Investigation, M. A. Hussain, A. S. Mahadevi and G. N. Sastry, Phys. Chem. Chem. Phys., 2015, 17, 1763-1775.
  14. Molecular modeling P. Badrinarayan; C. Choudhury; G. N. Sastry in the book entitled "Systems and Synthetic Biology (S2B2)" Ed. by P. K. Dhar and V. Singh, Springer Press., 2015, 93-128.