1) Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic.
B. K. Das and D. Chakraborty*, J. Phys. Chem. Lett., 11, 9920 (2020).
2) Temperature-Dependent Conformational Evolution of SARS CoV-2 RNA Genome Using Network Analysis.
Omkar Singh, Pushyaraga P Venugopal, Apoorva Mathur and D. Chakraborty*, J. Phys. Chem. B, accepted (2021). DOI : https://doi.org/10.1021/acs.jpcb.1c05795
3) Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using in silico methods.
Pushyaraga P Venugopal and D. Chakraborty*, J. Biomol. Struct. Dyn. , accepted, (2021)
DOI: 10.1080/07391102.2020.1868337
4) Structural and dynamical properties of water in surfactant-like peptide-based nanotubes: Effect of pore size, tube length and charge.
Dilip H. N. and D. Chakraborty*, J. Mol. Liq., 323, 115033 (2021).
5) Dilip H. N. and D. Chakraborty*, "Hydrophilicity of the hydrophobic group: Effect of cosolvents and ions", J. Mol. Liq., 280, 389-398, 2019.
6) D. Chakraborty and G. N. Patey, "How Crystals Nucleate and Grow in Aqueous NaCl Solution", J. Phys. Chem. Lett., 4, 573, 2013.
