| Biomimetic temporal self-assembly via fuel-driven controlled supramolecular polymerization A Mishra, DB Korlepara, M Kumar, A Jain, N Jonnalagadda, KK Bejagam, ... Nature communications 9 (1), 1295, 2018 | 183 | 2018 |
| Dipole-moment-driven cooperative supramolecular polymerization C Kulkarni, KK Bejagam, SP Senanayak, KS Narayan, ... Journal of the American Chemical Society 137 (11), 3924-3932, 2015 | 126 | 2015 |
| Solvent clathrate driven dynamic stereomutation of a supramolecular polymer with molecular pockets C Kulkarni, PA Korevaar, KK Bejagam, ARA Palmans, EW Meijer, ... Journal of the American Chemical Society 139 (39), 13867-13875, 2017 | 91 | 2017 |
| Supramolecular polymerization of benzene-1, 3, 5-tricarboxamide: a molecular dynamics simulation study KK Bejagam, G Fiorin, ML Klein, S Balasubramanian The Journal of Physical Chemistry B 118 (19), 5218-5228, 2014 | 73 | 2014 |
| Machine-learned coarse-grained models KK Bejagam, S Singh, Y An, SA Deshmukh The journal of physical chemistry letters 9 (16), 4667-4672, 2018 | 71 | 2018 |
| Autoresolution of Segregated and Mixed p‐n Stacks by Stereoselective Supramolecular Polymerization in Solution B Narayan, KK Bejagam, S Balasubramanian, SJ George Angewandte Chemie International Edition 54 (44), 13053-13057, 2015 | 67 | 2015 |
| Dissolution of Cellulose in Room Temperature Ionic Liquids: Anion Dependence RS Payal, KK Bejagam, A Mondal, S Balasubramanian The Journal of Physical Chemistry B 119 (4), 1654-1659, 2015 | 58 | 2015 |
| Machine-learning enabled new insights into the coil-to-globule transition of thermosensitive polymers using a coarse-grained model KK Bejagam, Y An, S Singh, SA Deshmukh The Journal of Physical Chemistry Letters 9 (22), 6480-6488, 2018 | 45 | 2018 |
| Development of new transferable coarse-grained models of hydrocarbons Y An, KK Bejagam, SA Deshmukh The Journal of Physical Chemistry B 122 (28), 7143-7153, 2018 | 44 | 2018 |
| PSO-assisted development of new transferable coarse-grained water models KK Bejagam, S Singh, Y An, C Berry, SA Deshmukh The Journal of Physical Chemistry B 122 (6), 1958-1971, 2018 | 43 | 2018 |
| Supramolecular Polymerization: A Coarse Grained Molecular Dynamics Study KK Bejagam, S Balasubramanian The Journal of Physical Chemistry B 119 (17), 5738–5746, 2015 | 43 | 2015 |
| Nanoparticle activated and directed assembly of graphene into a nanoscroll KK Bejagam, S Singh, SA Deshmukh Carbon 134, 43-52, 2018 | 41 | 2018 |
| Unraveling the conformations of backbone and side chains in thermosensitive bottlebrush polymers KK Bejagam, SK Singh, R Ahn, SA Deshmukh Macromolecules 52 (23), 9398-9408, 2019 | 40 | 2019 |
| Machine learning for melting temperature predictions and design in polyhydroxyalkanoate-based biopolymers KK Bejagam, J Lalonde, CN Iverson, BL Marrone, G Pilania The Journal of Physical Chemistry B 126 (4), 934-945, 2022 | 38 | 2022 |
| Molecular dynamics simulations for glass transition temperature predictions of polyhydroxyalkanoate biopolymers KK Bejagam, CN Iverson, BL Marrone, G Pilania Physical Chemistry Chemical Physics 22 (32), 17880-17889, 2020 | 38 | 2020 |
| Host–Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal–Organic Framework A Hazra, S Bonakala, KK Bejagam, S Balasubramanian, TK Maji Chemistry–A European Journal 22 (23), 7792-7799, 2016 | 35 | 2016 |
| Machine-learning based stacked ensemble model for accurate analysis of molecular dynamics simulations SK Singh, KK Bejagam, Y An, SA Deshmukh The Journal of Physical Chemistry A 123 (24), 5190-5198, 2019 | 33 | 2019 |
| External Electric Field Reverses Helical Handedness of a Supramolecular Columnar Stack KK Bejagam, C Kulkarni, GJ Subi, S Balasubramanian Chemical Communications, 2015 | 29 | 2015 |
| Biodegradation Studies of Polyhydroxybutyrate and Polyhydroxybutyrate-co-Polyhydroxyvalerate Films in Soil J Kim, NS Gupta, LB Bezek, J Linn, KK Bejagam, S Banerjee, JH Dumont, ... International Journal of Molecular Sciences 24 (8), 7638, 2023 | 26 | 2023 |
| Solvation dynamics of N-substituted acrylamide polymers and the importance for phase transition behavior IO de Solorzano, KK Bejagam, Y An, SK Singh, SA Deshmukh Soft Matter 16 (6), 1582-1593, 2020 | 24 | 2020 |
Sanket A. DeshmukhAssociate Professor, Department of Chemical Engineering, Virginia TechVerified email at vt.edu