Karteek Bejagam
Karteek Bejagam
Senior Research Scientist
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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
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
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
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
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
Machine-learned coarse-grained models
KK Bejagam, S Singh, Y An, SA Deshmukh
The journal of physical chemistry letters 9 (16), 4667-4672, 2018
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
Supramolecular Polymerization: A Coarse Grained Molecular Dynamics Study
KK Bejagam, S Balasubramanian
The Journal of Physical Chemistry B 119 (17), 5738–5746, 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
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
Nanoparticle activated and directed assembly of graphene into a nanoscroll
KK Bejagam, S Singh, SA Deshmukh
Carbon 134, 43-52, 2018
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
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
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
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
External Electric Field Reverses Helical Handedness of a Supramolecular Columnar Stack
KK Bejagam, C Kulkarni, GJ Subi, S Balasubramanian
Chemical Communications, 2015
Development of an accurate coarse-grained model of poly (acrylic acid) in explicit solvents
Y An, S Singh, KK Bejagam, SA Deshmukh
Macromolecules 52 (13), 4875-4887, 2019
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
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
Development of non‐bonded interaction parameters between graphene and water using particle swarm optimization
KK Bejagam, S Singh, SA Deshmukh
Journal of Computational Chemistry 39 (12), 721-734, 2018
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