Publications
Published Works
Predicting the DNA Conductance Using a Deep Feedforward Neural Network Model.
A. Aggarwal, V. Vinayak, S. Bag, C. Bhattacharyya, U. V. Waghmare, and P. K. Maiti*, J. Chem. Inf. Model. 2021, 61, 1, 106–114
Machine learning prediction of electronic coupling between the guanine bases of DNA.
S. Bag, A. Aggarwal, P. K. Maiti*, The Journal of Physical Chemistry A 2020, 124 (38), 7658-7664
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 2020, 12 (36), 18750-18760
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 2018, 20 (45), 28920-28928
What do we know about DNA mechanics so far?
A. Aggarwal, S. Naskar, A. K. Sahoo, S. Mogurampelly, A. Garai, and P. K. Maiti Current Opinion in Structural Biology, 64, 2020, 42-50
Fine-tuning the DNA conductance by intercalation of drug molecules
A. Aggarwal, A. K. Sahoo, S. Bag, V. Kaliginedi, M. Jain, and P. K. Maiti. Physical Review E 103, 032411 (2021)
Quantum Circuit Rules for Molecular Electronic Systems: Where Are We Headed Based on the Current Understanding of Quantum Interference, Thermoelectric, and Molecular Spintronics Phenomena?
A. Aggarwal, V. Kaliginedi, P. K. Maiti Nano Letters 21 (20), 8532-8544 (2021).
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).
Molecular rectifiers with very high rectification ratio enabled by oxidative damage in double-stranded DNA.
A. Aggarwal, S Naskar, PK Maiti, Journal of Physical Chemistry B 2022 126 (25), 4636–4646
Efficient Removal of Uranyl Ions Using PAMAM Dendrimer: Simulation and Experiment.
T. Maity, A. Aggarwal, S. Dasgupta, V. Velachi, AK Singha Deb, Sk Musharaf Ali, P K Maiti, Langmuir 2023, 39, 19, 6794–6802
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, J. C Grossman, The Journal of Physical Chemistry B 2024, 128, 14, 3427–3441
More to come soon....! :)