| Lysozyme–luteolin binding: molecular insights into the complexation process and the inhibitory effects of luteolin towards protein modification S Das, S Pahari, S Sarmah, MA Rohman, D Paul, M Jana, AS Roy Physical Chemistry Chemical Physics 21 (23), 12649-12666, 2019 | 69 | 2019 |
| Elucidation of molecular interaction of bioactive flavonoid luteolin with human serum albumin and its glycated analogue using multi-spectroscopic and computational studies S Sarmah, S Pahari, VK Belwal, M Jana, AS Roy Journal of Molecular Liquids 318, 114147, 2020 | 52 | 2020 |
| CHARMM drude polarizable force field for aldopentofuranoses and methyl-aldopentofuranosides M Jana, AD MacKerell Jr The Journal of Physical Chemistry B 119 (25), 7846-7859, 2015 | 47 | 2015 |
| Hydration Properties of α-, β-, and γ-Cyclodextrins from Molecular Dynamics Simulations M Jana, S Bandyopadhyay The Journal of Physical Chemistry B 115 (19), 6347-6357, 2011 | 43 | 2011 |
| Conformational flexibility of a protein–carbohydrate complex and the structure and ordering of surrounding water M Jana, S Bandyopadhyay Physical Chemistry Chemical Physics 14 (18), 6628-6638, 2012 | 41 | 2012 |
| Molecular dynamics study of β-cyclodextrin–phenylalanine (1: 1) inclusion complex in aqueous medium M Jana, S Bandyopadhyay The Journal of Physical Chemistry B 117 (31), 9280-9287, 2013 | 36 | 2013 |
| Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations M Yang, TA d’Ortoli, E Säwén, M Jana, G Widmalm, AD MacKerell Physical Chemistry Chemical Physics 18 (28), 18776-18794, 2016 | 34 | 2016 |
| An insight into the binding of 6-hydroxyflavone with hen egg white lysozyme: a combined approach of multi-spectroscopic and computational studies S Das, S Santra, MA Rohman, M Ray, M Jana, AS Roy Journal of Biomolecular Structure and Dynamics, 2019 | 31 | 2019 |
| Microscopic investigation of the hydration properties of cyclodextrin and its substituted forms M Jana, S Bandyopadhyay Langmuir 25 (22), 13084-13091, 2009 | 27 | 2009 |
| Kinetics of hydrogen bonds in aqueous solutions of cyclodextrin and its methyl-substituted forms M Jana, S Bandyopadhyay The Journal of Chemical Physics 134 (2), 2011 | 25 | 2011 |
| In silico studies of the properties of water hydrating a small protein SK Sinha, M Jana, K Chakraborty, S Bandyopadhyay The Journal of Chemical Physics 141 (22), 2014 | 24 | 2014 |
| Non-enzymatic glycation of human serum albumin modulates its binding efficacy towards bioactive flavonoid chrysin: A detailed study using multi-spectroscopic and computational … S Sarmah, S Pahari, S Das, VK Belwal, M Jana, A Singha Roy Journal of Biomolecular Structure and Dynamics 39 (2), 476-492, 2021 | 20 | 2021 |
| Insights into the mechanism of ground and excited state double proton transfer reaction in formic acid dimer S Giri, R Parida, M Jana, S Gutierrez-Oliva, A Toro-Labbe The Journal of Physical Chemistry A 121 (49), 9531-9543, 2017 | 19 | 2017 |
| Can 2, 2, 2-trifluoroethanol be an efficient protein denaturant than methanol and ethanol under thermal stress? D Mohanta, M Jana Physical Chemistry Chemical Physics 20 (15), 9886-9896, 2018 | 17 | 2018 |
| Restricted dynamics of water around a protein–carbohydrate complex: Computer simulation studies M Jana, S Bandyopadhyay The Journal of chemical physics 137 (5), 2012 | 17 | 2012 |
| Conformational changes of GDNF-derived peptide induced by heparin, heparan sulfate, and sulfated hyaluronic acid–analysis by circular dichroism spectroscopy and molecular … L Satish, S Santra, MV Tsurkan, C Werner, M Jana, H Sahoo International Journal of Biological Macromolecules 182, 2144-2150, 2021 | 15 | 2021 |
| Superhalogens as Building Blocks of Super Lewis Acids GN Reddy, R Parida, P Jena, M Jana, S Giri ChemPhysChem 20 (12), 1607-1612, 2019 | 15 | 2019 |
| A new class of superhalogen based anion receptor in Li-ion battery electrolytes R Parida, GN Reddy, A Chakraborty, S Giri, M Jana Journal of Chemical Information and Modeling 59 (5), 2159-2164, 2019 | 15 | 2019 |
| Effect of ethanol concentrations on temperature driven structural changes of chymotrypsin inhibitor 2 D Mohanta, M Jana The Journal of Chemical Physics 144 (16), 2016 | 15 | 2016 |
| Introducing the potency of new boron-based heterocyclic anion receptor additives to regulate the solvation and transport properties of Li-ions in ethylene carbonate electrolyte … R Parida, S Pahari, M Jana Journal of Power Sources 521, 230962, 2022 | 13 | 2022 |
Dr Atanu Singha RoyAssociate Professor, Department of Chemical and Biological Sciences, NIT Meghalaya確認したメール アドレス: nitm.ac.in