| Interfacial water in the SARS spike protein: investigating the interaction with human ACE2 receptor and in vitro uptake in A549 cells AV Singh, A Kayal, A Malik, RS Maharjan, P Dietrich, A Thissen, K Siewert, ... Langmuir 38 (26), 7976-7988, 2022 | 24 | 2022 |
| Wetting and dewetting of narrow hydrophobic channels by orthogonal electric fields: Structure, free energy, and dynamics for different water models A Kayal, A Chandra The Journal of Chemical Physics 143 (22), 2015 | 22 | 2015 |
| Exploring the structure and dynamics of nano-confined water molecules using molecular dynamics simulations A Kayal, A Chandra Molecular Simulation 41 (5-6), 463-470, 2015 | 19 | 2015 |
| Orientational order and dynamics of interfacial water near a hexagonal boron-nitride sheet: An ab initio molecular dynamics study A Kayal, A Chandra The Journal of Chemical Physics 147 (16), 2017 | 16 | 2017 |
| Water in confinement between nanowalls: Results for hexagonal boron nitride versus graphene sheets from ab initio molecular dynamics A Kayal, A Chandra The Journal of Physical Chemistry C 123 (10), 6130-6140, 2019 | 15 | 2019 |
| Interfacial water molecules make RBD of SPIKE protein and human ACE2 to stick together A Malik, D Prahlad, N Kulkarni, A Kayal bioRxiv, 2020.06. 15.152892, 2020 | 14 | 2020 |
| Molecular modelling of ionic liquids: Physical properties of species with extremely long aliphatic chains from a near-optimal regime Z Sun, A Kayal, Z Gong, L Zheng, Q He Journal of Molecular Liquids 367, 120492, 2022 | 11 | 2022 |
| Infrared spectral and dynamical properties of water confined in nanobubbles at hybrid interfaces of diamond and graphene: A molecular dynamics study A Kayal, A Chandra The Journal of Physical Chemistry C 121 (42), 23455-23462, 2017 | 9 | 2017 |
| In silico screening of phytochemical compounds and FDA drugs as potential inhibitors for NSP16/10 5' methyl transferase activity A Malik, M Kohli, NA Jacob, A Kayal, TK Raj, N Kulkarni, ... Journal of Biomolecular Structure and Dynamics 41 (1), 221-233, 2023 | 7 | 2023 |
| Multi-epoch hard X-ray view of Compton-thick AGN Circinus Galaxy A Kayal, V Singh, C Ricci, NPS Mithun, S Vadawale, G Dewangan, ... Monthly Notices of the Royal Astronomical Society 522 (3), 4098-4115, 2023 | 4 | 2023 |
| In silico studies disclose the underlying link between binding affinity and redox potential in laccase isoforms KR Takur, M Kohli, K Pande, A Malik, A Deshmukh, A Kayal, PR Kommoju, ... Journal of Biomolecular Structure and Dynamics 41 (15), 7265-7276, 2023 | 2 | 2023 |
| Search and characterization of remnant radio galaxies in the XMM-LSS deep field S Dutta, V Singh, CHI Chandra, Y Wadadekar, A Kayal, I Heywood The Astrophysical Journal 944 (2), 176, 2023 | 2 | 2023 |
| Detection of radio-AGN in dust-obscured galaxies using deep uGMRT radio continuum observations A Kayal, V Singh, CHI Chandra, Y Wadadekar, S Dutta Journal of Astrophysics and Astronomy 43 (2), 84, 2022 | 1 | 2022 |
| X-ray spectral properties of dust− obscured galaxies in the XMM− SERVS coverage of the XMM-LSS field A Kayal, V Singh Monthly Notices of the Royal Astronomical Society, stae1191, 2024 | | 2024 |
| Unveiling a new population of obscured Active Galactic Nuclei in deep field surveys A Kayal, V Singh, S Dutta, CH Chandra, Y Wadadekar, S Vadawale, ... 42nd meeting of the Astronomical Society of India (ASI, O77, 2024 | | 2024 |
| Dynamical Crossover of Interfacial Water upon Melting of a Lipid Bilayer: Influence of Different Parts of the Headgroups A Chandra, A Kayal, B Das, A Chandra The Journal of Physical Chemistry B 127 (49), 10478-10487, 2023 | | 2023 |
| Characteristics of remnant radio galaxies detected in deep radio continuum observations from SKA pathfinders S Dutta, V Singh, CHI Chandra, Y Wadadekar, A Kayal Journal of Astrophysics and Astronomy 43 (2), 96, 2022 | | 2022 |
| Interfacial Water Molecules Make RBD of SPIKE Protein and Human ACE2 to Stick Together (preprint) A Malik, D Prahlad, N Kulkarni, A Kayal | | 2020 |
