Hemant Kumar Srivastava
Hemant Kumar Srivastava
Verified email at iitg.ac.in
TitleCited byYear
Comparative QSAR study of phenol derivatives with the help of density functional theory
FA Pasha, HK Srivastava, PP Singh
Bioorganic & medicinal chemistry 13 (24), 6823-6829, 2005
882005
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
822010
DFT-based QSAR study of testosterone and its derivatives
PP Singh, HK Srivastava, FA Pasha
Bioorganic & medicinal chemistry 12 (1), 171-177, 2004
782004
Comparison of computational methods to model dna minor groove binders
HK Srivastava, M Chourasia, D Kumar, GN Sastry
Journal of chemical information and modeling 51 (3), 558-571, 2011
682011
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
602012
QSAR study of estrogens with the help of PM3‐based descriptors
FA Pasha, HK Srivastava, PP Singh
International journal of quantum chemistry 104 (1), 87-100, 2005
502005
Atomic softness‐based QSAR study of testosterone
HK Srivastava, FA Pasha, PP Singh
International journal of quantum chemistry 103 (3), 237-245, 2005
482005
Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer
T Ansbacher, HK Srivastava, T Stein, R Baer, M Merkx, A Shurki
Phys. Chem. Chem. Phys. 14 (12), 4109-4117, 2012
462012
Viability of Clathrate Hydrates as CO2 Capturing Agents: A Theoretical Study
HK Srivastava, GN Sastry
The Journal of Physical Chemistry A 115 (26), 7633-7637, 2011
412011
Synthesis of bis-1, 2, 3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via ‘click’chemistry and their DNA-binding studies
A Kamal, N Shankaraiah, CR Reddy, S Prabhakar, N Markandeya, ...
Tetrahedron 66 (29), 5498-5506, 2010
382010
Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models
MH Bohari, HK Srivastava, GN Sastry
Organic and medicinal chemistry letters 1 (1), 3, 2011
302011
Semiempirical QSAR study and ligand receptor interaction of estrogens
FA Pasha, HK Srivastava, PP Singh
Molecular diversity 9 (1-3), 215-220, 2005
302005
DFT based atomic softness and its application in site selectivity
PP Singh, FA Pasha, HK Srivastava
QSAR & Combinatorial Science 22 (8), 843-851, 2003
282003
QSTR Study of Small Organic Molecules Against Tetrahymena pyriformis
FA Pasha, HK Srivastava, A Srivastava, PP Singh
QSAR & Combinatorial Science 26 (1), 69-84, 2007
272007
Stereoelectronic Effect of Curved Aromatic Structures: Favoring the Unexpected endo Conformation of Benzylic‐Substituted Sumanene
S Higashibayashi, S Onogi, HK Srivastava, GN Sastry, YT Wu, H Sakurai
Angewandte Chemie 125 (28), 7455-7457, 2013
262013
Modeling Anti-HIV Compounds: The Role of Analogue-Based Approaches
HK Srivastava, MH Bohari, GN Sastry
Current Computer-Aided Drug Design 8 (3), 224-248, 2012
202012
Metal-Free Sequential C(sp2)–H/OH and C(sp3)–H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles
A Purkait, SK Roy, HK Srivastava, CK Jana
Organic letters 19 (10), 2540-2543, 2017
182017
DFT based electrophilicity index and QSAR study of phenols as anti leukaemia agent
FA Pasha, HK Srivastava, Y Beg, PP Singh
Am. J. Immunol 2, 23-28, 2006
162006
Energy decomposition analysis of cation–π, metal ion–lone pair, hydrogen bonded, charge‐assisted hydrogen bonded, and π–π interactions
B Sharma, HK Srivastava, G Gayatri, GN Sastry
Journal of computational chemistry 36 (8), 529-538, 2015
152015
The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors
HK Srivastava, C Choudhury, GN Sastry
Medicinal Chemistry 8 (5), 811-825, 2012
142012
The system can't perform the operation now. Try again later.
Articles 1–20