| Cation− π interaction: Its role and relevance in chemistry, biology, and material science AS Mahadevi, GN Sastry Chemical Reviews 113 (3), 2100-2138, 2013 | 1039 | 2013 |
| Cooperativity in Noncovalent Interactions AS Mahadevi, GN Sastry Chemical Reviews 116 (5), 2775-2825, 2016 | 761 | 2016 |
| Ab initio investigation of benzene clusters: Molecular tailoring approach AS Mahadevi, AP Rahalkar, SR Gadre, GN Sastry The Journal of Chemical Physics 133 (16), 164308, 2010 | 83 | 2010 |
| Hydrogen bonding in water clusters and their ionized counterparts YI Neela, AS Mahadevi, GN Sastry The Journal of Physical Chemistry B 114 (51), 17162-17171, 2010 | 72 | 2010 |
| Colon cancer prediction with genetic profiles using intelligent techniques SM Alladi, V Ravi, US Murthy Bioinformation 3 (3), 130, 2008 | 48 | 2008 |
| A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH 3 CONH 2](n= 1–15) AS Mahadevi, YI Neela, GN Sastry Physical Chemistry Chemical Physics 13 (33), 15211-15220, 2011 | 43 | 2011 |
| A theoretical study on interaction of cyclopentadienyl ligand with alkali and alkaline earth metals AS Mahadevi, GN Sastry The Journal of Physical Chemistry B 115 (4), 703-710, 2011 | 36 | 2011 |
| First principles study and database analyses of structural preferences for sodium ion (Na+) solvation and coordination YI Neela, AS Mahadevi, GN Sastry Structural Chemistry 24, 67-79, 2013 | 24 | 2013 |
| Estimating the Binding Ability of Onium Ions with CO2 and π Systems: A Computational Investigation GNS MA Hussain, SM Alladi Physical Chemistry Chemical Physics 17 (3), 1763 - 1775, 2015 | 21 | 2015 |
| Hydrogen bonded networks in formamide [HCONH2] n (n= 1− 10) clusters: A computational exploration of preferred aggregation patterns# AS Mahadevi, YI Neela, GN Sastry Journal of Chemical Sciences 124 (1), 35-42, 2012 | 18 | 2012 |
| Modulation of hydrogen bonding upon ion binding: Insights into cooperativity AS Mahadevi, GN Sastry International Journal of Quantum Chemistry 114 (2), 145-153, 2014 | 17 | 2014 |
| Analyzing coordination preferences of Mg2+ complexes: insights from computational and database study YI Neela, AS Mahadevi, GN Sastry Structural Chemistry 24, 637-650, 2013 | 17 | 2013 |
| Alpha-mannosidase from the seeds of Triticale. Journal of Biochemistry, Molecular Biology, and Biophysics: JBMBB: the …, 2002 | 6* | 2002 |
| Computational Approaches Towards Modeling Finite Molecular Assemblies: Role of Cation-π, π–π and Hydrogen Bonding Interactions AS Mahadevi, GN Sastry Practical Aspects of Computational Chemistry I: An Overview of the Last Two …, 2012 | 5 | 2012 |
| Advances in Computational Studies of Potential Drug Targets in Mycobacterium tuberculosis. SM Alladi Current topics in medicinal chemistry 18 (13), 1062 - 1074, 2018 | 3 | 2018 |
| Modelling noncovalent interactions in biological systems SM Alladi | | 2013 |
G. Narahari SastryCSIR-NEISTVerified email at neist.res.in
