What do we know about DNA mechanics so far? A Aggarwal, S Naskar, AK Sahoo, S Mogurampelly, A Garai, PK Maiti Current Opinion in Structural Biology Volume 64, October 2020, Pages 42-50 …, 2020 | 32 | 2020 |
Machine learning prediction of electronic coupling between the guanine bases of DNA S Bag, A Aggarwal, PK Maiti The Journal of Physical Chemistry A 124 (38), 7658-7664, 2020 | 19 | 2020 |
Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding A Aggarwal, S Naskar, N Maroli, B Gorai, NM Dixit, PK Maiti Physical Chemistry Chemical Physics 23 (46), 26451-26458, 2021 | 17 | 2021 |
Quantum circuit rules for molecular electronic Systems: where are we headed based on the current understanding of quantum interference, thermoelectric, and molecular … A Aggarwal, V Kaliginedi, PK Maiti Nano Letters 21 (20), 8532-8544, 2021 | 16 | 2021 |
Predicting the DNA Conductance using Deep Feed Forward Neural Network Model A Aggarwal, V Vinayak, S Bag, C Bhattacharyya, UV Waghmare, PK Maiti Journal of Chemical Information and Modeling 61 (1), 106–114, 2021 | 15 | 2021 |
Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurements A Aggarwal, S Bag, PK Maiti Physical Chemistry Chemical Physics 20 (45), 28920-28928, 2018 | 15 | 2018 |
Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism A Aggarwal, S Bag, R Venkatramani, M Jain, PK Maiti Nanoscale 12 (36), 18750-18760, 2020 | 10 | 2020 |
Fine-tuning the DNA conductance by intercalation of drug molecules A Aggarwal, AK Sahoo, S Bag, V Kaliginedi, M Jain, PK Maiti Physical Review E 103 (3), 032411, 2021 | 5 | 2021 |
Efficient Removal of Uranyl Ions Using PAMAM Dendrimer: Simulation and Experiment T Maity, A Aggarwal, S Dasgupta, V Velachi, AK Singha Deb, SM Ali, ... Langmuir 39 (19), 6794-6802, 2023 | 3 | 2023 |
Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics E Crabb#, A Aggarwal#, R Stephens, Y Shao-Horn, G Leverick, ... The Journal of Physical Chemistry B 128 (14), 3427–3441, 2024 | 1 | 2024 |
Computational Insights into Electrolyte-Dependent Li-ion Charge-Transfer Kinetics at the LixCoO2 Interface JH Stenlid, P Žguns, D Vivona, A Aggarwal, K Gordiz, Y Zhang, S Pathak, ... | | 2024 |
Revealing the Molecular Origin of Driving Forces and Thermodynamic Barriers for Li+ Ion Transport to Electrode-Electrolyte Interfaces A Aggarwal, K Gordiz, A Baskin, D Vivona, JH Stenlid, JW Lawson, ... | | 2024 |
CO2-to-methanol electroconversion on a molecular cobalt catalyst facilitated by acidic cations S Yu, H Yamauchi, S Wang, A Aggarwal, J Kim, B Huang, H Xu, D Zheng, ... | | 2024 |
Understanding the Energetics of Ion Intercalation in Lithium-Ion Batteries A Aggarwal, K Gordiz, P Zguns, D Vivona, A Baskin, J Grossman, ... Electrochemical Society Meeting Abstracts 243, 692-692, 2023 | | 2023 |
Understanding Nucleic Acid Charge Transport Properties using Multiscale Modelling Techniques A Aggarwal | | 2022 |
Molecular rectifiers with very high rectification ratio enabled by oxidative damage in double-stranded DNA A Aggarwal, S Naskar, PK Maiti J. Phys. Chem. B 2022 126 (25), 4636–4646, 2022 | | 2022 |