| Solvation Structures and Dynamics of the Magnesium Chloride (Mg2+–Cl–) Ion Pair in Water–Ethanol Mixtures A Chatterjee, MK Dixit, BL Tembe The Journal of Physical Chemistry A 117 (36), 8703-8709, 2013 | 38 | 2013 |
| Solvation structure and dynamics of potassium chloride ion pair in dimethyl sulfoxide–water mixtures AA Siddique, MK Dixit, BL Tembe Journal of Molecular Liquids 188, 5-12, 2013 | 29 | 2013 |
| Amphotericin B assembles into seven-molecule ion channels: An NMR and molecular dynamics study Y Umegawa, T Yamamoto, M Dixit, K Funahashi, S Seo, Y Nakagawa, ... Science Advances 8 (24), eabo2658, 2022 | 25 | 2022 |
| SPICA force field for proteins and peptides S Kawamoto, H Liu, Y Miyazaki, S Seo, M Dixit, R DeVane, ... Journal of Chemical Theory and Computation 18 (5), 3204-3217, 2022 | 22 | 2022 |
| Potentials of mean force of sodium chloride ion pair in dimethyl sulfoxide–methanol mixtures MK Dixit, BL Tembe Journal of Molecular Liquids 178, 78-83, 2013 | 21 | 2013 |
| Free energy of hydrophilic and hydrophobic pores in lipid bilayers by free energy perturbation of a restraint M Dixit, T Lazaridis The Journal of Chemical Physics 153 (5), 2020 | 18 | 2020 |
| Solvation structures of lithium halides in methanol–water mixtures A Sarkar, MK Dixit, BL Tembe Chemical Physics 447, 76-85, 2015 | 17 | 2015 |
| Franck–Condon factors for diatomics: Insights and analysis using the Fourier Grid Hamiltonian Method S Ghosh, MK Dixit, SP Bhattacharyya, BL Tembe Journal of Chemical Education 90 (11), 1463-1471, 2013 | 17 | 2013 |
| Salting-out of methane in the aqueous solutions of urea and glycine–betaine MK Dixit, AA Siddique, BL Tembe The Journal of Physical Chemistry B 119 (34), 10941-10953, 2015 | 15 | 2015 |
| Flying onto global minima on potential energy surfaces: A swarm intelligence guided route to molecular electronic structure R Shukla, D Ray, K Sarkar, M Kumar Dixit, S Prasad Bhattacharyya International Journal of Quantum Chemistry 117 (5), e25328, 2017 | 14 | 2017 |
| Substantial Effect of Terminal Groups in cis-Polyisoprene: A Multiscale Molecular Dynamics Simulation Study M Dixit, T Taniguchi Macromolecules 55 (21), 9650-9662, 2022 | 11 | 2022 |
| Molecular dynamics simulations of Ca2+ Cl− ion pair in polar mixtures of acetone and water: Solvation and dynamical studies AA Siddique, MK Dixit, BL Tembe Chemical Physics Letters 662, 306-316, 2016 | 11 | 2016 |
| Solvation structures of sodium halides in dimethyl sulfoxide (DMSO)–methanol (MeOH) mixtures MK Dixit, T Hajari, BL Tembe Molecular Simulation 43 (3), 154-168, 2017 | 9 | 2017 |
| Progressive hydrophobicity of fluorobenzenes A Kumar, J Mahato, M Dixit, GN Patwari The Journal of Physical Chemistry B 123 (47), 10083-10088, 2019 | 8 | 2019 |
| The effect of urea and taurine osmolytes on hydrophobic association and solvation of methane and neopentane molecules MK Dixit, T Hajari, BL Tembe Journal of Molecular Liquids 223, 660-671, 2016 | 8 | 2016 |
| Thermodynamics of site-specific small molecular ion interactions with DNA duplex: a molecular dynamics study S Ghosh, MK Dixit, R Chakrabarti Molecular Simulation 42 (9), 715-724, 2016 | 8 | 2016 |
| Fourier Grid Hamiltonian Method for calculating the Einstein coefficients, Franck–Condon factors, r-Centroids, average internuclear separations and radiative lifetimes for N2 … MK Dixit, A Srivastava, BL Tembe Journal of Computational Science 10, 262-269, 2015 | 8 | 2015 |
| Role of Terminal Groups of cis-1,4-Polyisoprene Chains in the Formation of Physical Junction Points in Natural Rubber M Dixit, T Taniguchi Biomacromolecules 24 (8), 3589-3602, 2023 | 7 | 2023 |
| Salting-out of methane in the aqueous solutions of urea and sarcosine MK Dixit, A Chatterjee, BL Tembe Journal of Chemical Sciences 128, 599-612, 2016 | 7 | 2016 |
| Salting-in of neopentane in the aqueous solutions of urea and glycine-betaine MKDBLT Manjynath D. Meti Molecular Simulation 44 (8), 677-687, 2018 | 6 | 2018 |
