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Abhishek Aggarwal
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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
322020
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
182020
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
172021
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
162021
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
152021
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
152018
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
102020
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
52021
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
12023
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, 2024
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
Charge Transport Properties of Biomolecules
A Aggarwal, S BAG, R Venkatramani, M Jain, P Maiti
Bulletin of the American Physical Society 65, 2020
2020
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