Unraveling the structure and function of melanin through synthesis W Cao, X Zhou, NC McCallum, Z Hu, QZ Ni, U Kapoor, CM Heil, KS Cay, ...
Journal of the American Chemical Society 143 (7), 2622-2637, 2021
243 2021 Principles governing the phase separation of multidomain proteins P Mohanty, U Kapoor, D Sundaravadivelu Devarajan, TM Phan, A Rizuan, ...
Biochemistry 61 (22), 2443-2455, 2022
44 2022 Mesoscale organization and dynamics in binary ionic liquid mixtures T Cosby, U Kapoor, JK Shah, J Sangoro
The journal of physical chemistry letters 10 (20), 6274-6280, 2019
40 2019 Preferential ionic interactions and microscopic structural changes drive nonideality in binary ionic liquid mixtures as revealed from molecular simulations U Kapoor, JK Shah
Industrial & Engineering Chemistry Research 55 (51), 13132-13146, 2016
28 2016 Thermophysical properties of imidazolium-based binary ionic liquid mixtures using molecular dynamics simulations U Kapoor, JK Shah
Journal of Chemical & Engineering Data 63 (7), 2512-2521, 2018
27 2018 Globular, Sponge-like to Layer-like Morphological Transition in 1-n -Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series U Kapoor, JK Shah
The Journal of Physical Chemistry B 122 (1), 213-228, 2018
25 2018 Anisotropic Synthetic Allomelanin Materials via Solid‐State Polymerization of Self‐Assembled 1, 8‐Dihydroxynaphthalene Dimers X Zhou, X Gong, W Cao, CJ Forman, J Oktawiec, L D'Alba, H Sun, ...
Angewandte Chemie International Edition 60 (32), 17464-17471, 2021
21 2021 Evaluation of the predictive capability of ionic liquid force fields for CH4, CO2, NH3, and SO2 phase equilibria U Kapoor, A Banerjee, JK Shah
Fluid Phase Equilibria 492, 161-173, 2019
19 2019 Molecular interactions underlying the phase separation of HP1α: role of phosphorylation, ligand and nucleic acid binding C Her, TM Phan, N Jovic, U Kapoor, BE Ackermann, A Rizuan, YC Kim, ...
Nucleic Acids Research 50 (22), 12702-12722, 2022
18 2022 Molecular Origins of the Apparent Ideal CO2 Solubilities in Binary Ionic Liquid Mixtures U Kapoor, JK Shah
The Journal of Physical Chemistry B 122 (42), 9763-9774, 2018
18 2018 Self-assembly of allomelanin dimers and the impact of poly (ethylene glycol) on the assembly: a molecular dynamics simulation study U Kapoor, A Jayaraman
The Journal of Physical Chemistry B 124 (13), 2702-2714, 2020
15 2020 Monte Carlo Simulations of Pure and Mixed Gas Solubilities of CO2 and CH4 in Nonideal Ionic Liquid–Ionic Liquid Mixtures U Kapoor, JK Shah
Industrial & Engineering Chemistry Research 58 (50), 22569-22578, 2019
14 2019 Macroscopic differentiators for microscopic structural nonideality in binary ionic liquid mixtures U Kapoor, JK Shah
The Journal of Physical Chemistry B 124 (36), 7849-7856, 2020
9 2020 Development of Coarse-Grained Models for Poly (4-vinylphenol) and Poly (2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding U Kapoor, A Kulshreshtha, A Jayaraman
Polymers 12 (11), 2764, 2020
6 2020 Effect of molecular solvents of varying polarity on the self-assembly of 1- U Kapoor, JK Shah
Journal of Theoretical and Computational Chemistry 17 (03), 1840004, 2018
4 2018 Understanding the Effect of Heterogeneous Particle Functionalization on Graft–Matrix Wetting and Structure in Polymer Nanocomposites Containing Grafted Nanoparticles Using … U Kapoor, A Kulshreshtha, SC Brown, A Jayaraman
ACS Applied Polymer Materials 3 (11), 5642-5655, 2021
2 2021 Coarse-Grained Models to Study Protein–DNA Interactions and Liquid–Liquid Phase Separation U Kapoor, YC Kim, J Mittal
Journal of Chemical Theory and Computation 20 (4), 1717-1731, 2023
1 2023 A coarse-grained DNA model to study protein-DNA interactions and liquid-liquid phase separation U Kapoor, YC Kim, J Mittal
bioRxiv, 2023
1 2023 Impact of polydopamine nanoparticle surface pattern and roughness on interactions with poly (ethylene glycol) in aqueous solution: a multiscale modeling and simulation study U Kapoor, A Jayaraman
The Journal of Physical Chemistry B 126 (33), 6301-6313, 2022
1 2022 Development of Coarse-Grained Polymer Models for Chemistries with Hydrogen Bonding Capability U Kapoor, A Kulshreshtha, A Jayaraman
2020 Virtual AIChE Annual Meeting, 2020
1 2020 
Jindal ShahOklahoma State UniversityEmail confirmado em okstate.edu
