ATHAR, MOHD
ATHAR, MOHD
DIPARTIMENTO DI FISICA
Thermodynamics and kinetics to develop an analytical method for sensing of aqueous Hg(II) using caffeic acid decorated AgNPs
2023-01-01 Painuli, R.; Raghav, S.; Jha, P. C.; Athar, M.; Kumar, D.
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
2023-01-01 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio
Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2
2022-01-01 Patel, D.; Athar, M.; Jha, P. C.
Through-Bond-Driven Through-Space Interactions in a Fullerene C60 Noncovalent Dyad: An Unusual Strong Binding between Spherical and Planar pi Electron Clouds and Culmination of Dyadic Fractals
2022-01-01 Athar, Mohd; Patnaik, Archita
Binding insight of anti-HIV phytocompounds with prime targets of HIV: A molecular dynamics simulation analysis
2020-01-01 Vora, J.; Athar, M.; Sinha, S.; Jha, P. C.; Shrivastava, N.
Colorimetric and electrochemical sensing of As(III) using calix[4]pyrrole capped gold nanoparticles and evaluation of its cytotoxic activity
2020-01-01 Kongor, A.; Panchal, M.; Athar, M.; Vora, M.; Verma, N.; Pandya, A.; Jha, P. C.; Bhadresha, K.; Rawal, R.; Jain, V.
Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds
2020-01-01 Vora, J.; Patel, S.; Athar, M.; Sinha, S.; Chhabria, M. T.; Jha, P. C.; Shrivastava, N.
Structural motifs of oxacalix[4]arene for molecular recognition of nitroaromatic explosives: Experimental and computational investigations of host-guest complexes
2020-01-01 Panchal, M.; Kongor, A.; Athar, M.; Modi, K.; Patel, C.; Dey, S.; Vora, M.; Bhadresha, K.; Rawal, R.; Jha, P. C.; Jain, V. K.
Understanding non-covalent interactions by NMR in urea- and thiourea-substituted calixarene complexes
2020-01-01 Athar, M.; Behzadi, H.; Makki, S.
Assessing the antimalarial potentials of phytochemicals: Virtual screening, molecular dynamics and in-vitro investigations
2019-01-01 Patel, S. K.; Athar, M.; Jha, P. C.; Khedkar, V. M.; Jasrai, Y.; Pandya, H. A.; George, L. -B.; Highland, H.; Sharma, S.
DFT study of guest-responsive cooperative effects: Inclusion complexation of alcohols with calix[4]pyrrole
2019-01-01 Athar, M.; Jha, P. C.
Facile construction of calix[4]pyrrole-templated gold nanoparticles: computational insights and application for efficient reduction of 4-nitrophenol
2019-01-01 Kongor, A.; Panchal, M.; Athar, M.; Bhatt, K.; Jha, P. C.; Jain, V.
Fixation of CO2 as a carboxylic acid precursor by microcrystalline cellulose (MCC) supported Ag NPs: A more efficient, sustainable, biodegradable and eco-friendly catalyst
2019-01-01 Shah, D. J.; Sharma, A. S.; Shah, A. P.; Sharma, V. S.; Athar, M.; Soni, J. Y.
Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"
2019-01-01 Athar, M.; Sona, A. N.; Bekono, B. D.; Ntie-Kang, F.
Appraisal of 1-Butylimidazole-Derived Ionic Liquids as Anthelmintic Agents: An Experimental and In Silico Approach
2018-01-01 Ranjan, P.; Athar, M.; Rather, H.; Vijayakrishna, K.; Vasita, R.; Jha, P. C.
Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations
2018-01-01 Athar, M.; Lone, M. Y.; Jha, P. C.
Heterogeneous hydrogenation using stable and reusable calix[4]pyrrole fenced Pt nanoparticles and its mechanistic insight
2018-01-01 Kongor, A.; Panchal, M.; Athar, M.; Mehta, V.; Bhatt, K.; Jha, P. C.; Jain, V.
Recognition of anions using urea and thiourea substituted calixarenes: A density functional theory study of non-covalent interactions
2018-01-01 Athar, M.; Lone, M. Y.; Jha, P. C.
Selective fluorescence sensing of Cu(II) ions using calix[4]pyrrole fabricated Ag nanoparticles: A spectroscopic and computational approach
2018-01-01 Kongor, A.; Panchal, M.; Athar, M.; Jha, P. C.; Jhala, D.; Sindhav, G.; Shah, N.; Jain, V. K.
Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysis
2017-01-01 Lone, M. Y.; Athar, M.; Gupta, V. K.; Jha, P. C.