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G. Narahari Sastry
G. Narahari Sastry
Indian Institute of Technology Hyderabad
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Titel
Zitiert von
Zitiert von
Jahr
Cation− π interaction: Its role and relevance in chemistry, biology, and material science
AS Mahadevi, GN Sastry
Chemical reviews 113 (3), 2100-2138, 2013
11052013
Cooperativity in noncovalent interactions
AS Mahadevi, GN Sastry
Chemical reviews 116 (5), 2775-2825, 2016
8162016
Virtual screening in drug discovery-a computational perspective
AS Reddy, SP Pati, PP Kumar, HN Pradeep, GN Sastry
Current Protein and Peptide Science 8 (4), 329-351, 2007
4502007
Incorrect dissociation behavior of radical ions in density functional calculations
T Bally, GN Sastry
The Journal of Physical Chemistry A 101 (43), 7923-7925, 1997
3531997
Cation [M= H+, Li+, Na+, K+, Ca2+, Mg2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: a theoretical study
AS Reddy, GN Sastry
The Journal of Physical Chemistry A 109 (39), 8893-8903, 2005
3152005
Quantum mechanical study of physisorption of nucleobases on carbon materials: graphene versus carbon nanotubes
D Umadevi, GN Sastry
The Journal of Physical Chemistry Letters 2 (13), 1572-1576, 2011
1912011
Synthesis, DNA-binding ability and anticancer activity of benzothiazole/benzoxazole–pyrrolo [2, 1-c][1, 4] benzodiazepine conjugates
A Kamal, KS Reddy, MNA Khan, RV Shetti, MJ Ramaiah, S Pushpavalli, ...
Bioorganic & medicinal chemistry 18 (13), 4747-4761, 2010
1852010
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds
AA Lagunin, VI Dubovskaja, AV Rudik, PV Pogodin, DS Druzhilovskiy, ...
PloS one 13 (1), e0191838, 2018
1832018
What factors influence the rate constant of substrate epoxidation by compound I of cytochrome P450 and analogous iron (IV)-oxo oxidants?
D Kumar, B Karamzadeh, GN Sastry, SP De Visser
Journal of the American Chemical Society 132 (22), 7656-7667, 2010
1832010
Noncovalent interaction of carbon nanostructures
D Umadevi, S Panigrahi, GN Sastry
Accounts of chemical research 47 (8), 2574-2581, 2014
1822014
Exploring the size dependence of cyclic and acyclic π-systems on cation–π binding
D Vijay, GN Sastry
Physical Chemistry Chemical Physics 10 (4), 582-590, 2008
1752008
Comprehensive Study on the Solvation of Mono- and Divalent Metal Cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+
JS Rao, TC Dinadayalane, J Leszczynski, GN Sastry
The Journal of Physical Chemistry A 112 (50), 12944-12953, 2008
1552008
The cooperativity of cation–π and π–π interactions
D Vijay, GN Sastry
Chemical Physics Letters 485 (1-3), 235-242, 2010
1532010
Choline kinase: an important target for cancer
S Janardhan, P Srivani, GN Sastry
Current medicinal chemistry 13 (10), 1169-1186, 2006
1412006
On the cooperativity of cation− π and hydrogen bonding interactions
D Vijay, H Zipse, GN Sastry
The Journal of Physical Chemistry B 112 (30), 8863-8867, 2008
1402008
Explicit solvent effect on cation− π interactions: a first principle investigation
JS Rao, H Zipse, GN Sastry
The Journal of Physical Chemistry B 113 (20), 7225-7236, 2009
1292009
Molecular dynamics investigation on a series of HIV protease inhibitors: assessing the performance of MM-PBSA and MM-GBSA approaches
HK Srivastava, GN Sastry
Journal of chemical information and modeling 52 (11), 3088-3098, 2012
1272012
Molecular and Ionic Interaction with Graphene Nanoflakes: A Computational Investigation of CO2, H2O, Li, Mg, Li+, and Mg2+ Interaction with Polycyclic Aromatic …
D Umadevi, GN Sastry
The Journal of Physical Chemistry C 115 (19), 9656-9667, 2011
1222011
A computational study of cation–π interactions in polycyclic systems: exploring the dependence on the curvature and electronic factors
UD Priyakumar, M Punnagai, GPK Mohan, GN Sastry
Tetrahedron 60 (13), 3037-3043, 2004
1182004
Quinazolinone linked pyrrolo [2, 1-c][1, 4] benzodiazepine (PBD) conjugates: Design, synthesis and biological evaluation as potential anticancer agents
A Kamal, EV Bharathi, MJ Ramaiah, D Dastagiri, JS Reddy, A Viswanath, ...
Bioorganic & medicinal chemistry 18 (2), 526-542, 2010
1122010
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