| Formation of a spiral-shaped Inorganic-Organic hybrid Chain [CuII(2,2'-bipy) (H2O)2Al(OH)6Mo6O18]nn- : Influence of Intra- and Inter-Chain Supramolecular Interactions. V Shivaiah, M Nagaraju Inorgonic Chemistry 42, 6604-6606, 2003 | 165 | 2003 |
| Theoretical Studies on Inclusion Complexes of Cyclodextrins. M Nagaraju J. Phys. Chem. A 113, 9533-9542, 2009 | 52 | 2009 |
| Identification of an L-phenylalanine binding site enhancing the cooperative responses of the calcium-sensing receptor to calcium C Zhang, Y Huang, Y Jiang, N Mulpuri, L Wei, D Hamelberg, EM Brown, ... Journal of Biological Chemistry 289 (8), 5296-5309, 2014 | 39 | 2014 |
| Dual role of electron-accepting metal-carboxylate ligands: reversible expansion of exciton delocalization and passivation of nonradiative trap-states in molecule-like CdSe … KN Lawrence, P Dutta, M Nagaraju, MB Teunis, BB Muhoberac, R Sardar Journal of the American Chemical Society 138 (39), 12813-12825, 2016 | 38 | 2016 |
| Molecular Cycloencapsulation Augments Solubility and Improves Therapeutic Index of Brominated Noscapine in Prostate Cancer Cells J Madan Mol. Pharmaceutics 9, 1470-1480, 2012 | 38 | 2012 |
| Cyclodextrin complexes of reduced bromonoscapine in guar gum microspheres enhance colonic drug delivery J Madan, SR Gundala, B Baruah, M Nagaraju, C Yates, T Turner, ... Molecular Pharmaceutics 11 (12), 4339-4349, 2014 | 33 | 2014 |
| Reversible tuning of the plasmoelectric effect in noble metal nanostructures through manipulation of organic ligand energy levels T Liyanage, M Nagaraju, M Johnson, BB Muhoberac, R Sardar Nano Letters 20 (1), 192-200, 2019 | 31 | 2019 |
| Role of Ca2+ and L-Phe in Regulating Functional Cooperativity of Disease-Associated “Toggle” Calcium-Sensing Receptor Mutations C Zhang, N Mulpuri, FM Hannan, MA Nesbit, RV Thakker, D Hamelberg, ... PloS one 9 (11), e113622, 2014 | 31 | 2014 |
| Extracellular calcium modulates actions of orthosteric and allosteric ligands on metabotropic glutamate receptor 1α JY Jiang, M Nagaraju, RC Meyer, L Zhang, D Hamelberg, RA Hall, ... Journal of Biological Chemistry 289 (3), 1649-1661, 2014 | 30 | 2014 |
| Novel third-generation water-soluble noscapine analogs as superior microtubule-interfering agents with enhanced antiproliferative activity M Henary, L Narayana, S Ahad, SR Gundala, R Mukkavilli, V Sharma, ... Biochemical pharmacology 92 (2), 192-205, 2014 | 27 | 2014 |
| Cyclophilin A inhibition: Targeting Transition-State-Bound Enzyme Conformations for Structure-Based Drug Design. M Nagaraju J. Chem. Info. Model 53, 403-410, 2013 | 27 | 2013 |
| Comparative study on formamide-water complex. M Nagaraju Int. J. Quantum Chem. 110, 1994-2003, 2010 | 27 | 2010 |
| Effect of alkyl substitution on H-bond strength of substituted amide-alcohol complexes. M Nagaraju Journal of Molecular Modeling 17 (7), 1801-1816, 2011 | 24 | 2011 |
| Formation of Linear Polymers with Pendant Vinyl Groups via Inclusion Complex Mediated Polymerization of Divinyl Monomers. SS Satav, M Nagaraju J. Am. Chem. Soc. 128, 7752-7753, 2006 | 23 | 2006 |
| Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer JN Murthy, M Nagaraju Journal of Computer-Aided Molecular Design 19 (12), 857-870, 2005 | 21 | 2005 |
| Hydrogen Bonding in Trivinyl Monomers: Implications for Inclusion Complexation and Polymerization SS Satav, M Nagaraju Macromolecules 40, 1824-1830, 2007 | 17 | 2007 |
| Reaction path-force matching in collective variables: determining ab initio qm/mm free energy profiles by fitting mean force B Kim, R Snyder, M Nagaraju, Y Zhou, P Ojeda-May, S Keeton, M Hege, ... Journal of chemical theory and computation 17 (8), 4961-4980, 2021 | 16 | 2021 |
| Design, synthesis and biological evaluation of di-substituted noscapine analogs as potent and microtubule-targeted anticancer agents RC Mishra, SR Gundala, P Karna, M Lopus, KK Gupta, M Nagaraju, ... Bioorganic & medicinal chemistry letters 25 (10), 2133-2140, 2015 | 16 | 2015 |
| Elucidating the role of surface passivating ligand structural parameters in hole wave function delocalization in semiconductor cluster molecules MB Teunis, M Nagaraju, P Dutta, J Pu, BB Muhoberac, R Sardar, ... Nanoscale 9 (37), 14127-14138, 2017 | 13 | 2017 |
| Toward Determining ATPase Mechanism in ABC Transporters: Development of the Reaction Path–Force Matching QM/MM Method Y Zhou, P Ojeda-May, M Nagaraju, J Pu Methods in enzymology 577, 185-212, 2016 | 12 | 2016 |
