| Synthesis, Structure, and Optical Studies of Donor–Acceptor‐Type Near‐Infrared (NIR) Aza–Boron‐Dipyrromethene (BODIPY) Dyes N Balsukuri, MY Lone, PC Jha, S Mori, I Gupta Chemistry–An Asian Journal 11 (10), 1572-1587, 2016 | 52 | 2016 |
| Pharmacophore model prediction, 3D-QSAR and molecular docking studies on vinyl sulfones targeting Nrf2-mediated gene transcription intended for anti-Parkinson drug design M Athar, MY Lone, VM Khedkar, PC Jha Journal of Biomolecular Structure and Dynamics 34 (6), 1282-1297, 2016 | 48 | 2016 |
| Bridged bis-BODIPYs: their synthesis, structures and properties PE Kesavan, S Das, MY Lone, PC Jha, S Mori, I Gupta Dalton Transactions 44 (39), 17209-17221, 2015 | 44 | 2015 |
| Electrochemical and theoretical investigation of the inhibitory effect of two Schiff bases of benzaldehyde for the corrosion of aluminium in hydrochloric acid UJ Naik, PC Jha, MY Lone, RR Shah, NK Shah Journal of Molecular Structure 1125, 63-72, 2016 | 29 | 2016 |
| Donor-acceptor architectures of tetraphenylethene linked aza-BODIPYs: Synthesis, crystal structure, energy transfer and computational studies N Balsukuri, N Manav, MY Lone, S Mori, A Das, P Sen, I Gupta Dyes and Pigments 176, 108249, 2020 | 28 | 2020 |
| Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysis MY Lone, M Athar, VK Gupta, PC Jha Journal of Molecular Graphics and Modelling 76, 172-180, 2017 | 24 | 2017 |
| Investigation of structural and conformational equilibrium of Oxacalix [4] arene: A density functional theory approach M Athar, MY Lone, PC Jha Journal of Molecular Liquids 237, 473-483, 2017 | 24 | 2017 |
| Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies MY Lone, A Manhas, M Athar, PC Jha Journal of Biomolecular Structure and Dynamics 36 (11), 2951-2965, 2018 | 22 | 2018 |
| Multicomplex-based pharmacophore modeling coupled with molecular dynamics simulations: An efficient strategy for the identification of novel inhibitors of PfDHODH A Manhas, MY Lone, PC Jha Journal of Molecular Graphics and Modelling 75, 413-423, 2017 | 21 | 2017 |
| Identification of natural compound inhibitors against PfDXR: A hybrid structure‐based molecular modeling approach and molecular dynamics simulation studies A Manhas, D Patel, MY Lone, PC Jha Journal of Cellular Biochemistry 120 (9), 14531-14543, 2019 | 19 | 2019 |
| Recognition of anions using urea and thiourea substituted calixarenes: a density functional theory study of non-covalent interactions M Athar, MY Lone, PC Jha Chemical Physics 501, 68-77, 2018 | 19 | 2018 |
| Corrosion inhibition and adsorption behaviour of black pepper extract on pure aluminum in hydrochloric acid medium: A combined experimental and computational study D Ladha, N Shah, S Thakur, M Lone, P Jha Pigment & Resin Technology 45 (2), 106-118, 2016 | 17 | 2016 |
| First protein drug target’s appraisal of lead-likeness descriptors to unfold the intervening chemical space M Athar, MY Lone, PC Jha Journal of Molecular Graphics and Modelling 72, 272-282, 2017 | 16 | 2017 |
| In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach A Manhas, MY Lone, PC Jha Molecular Diversity 23, 453-470, 2019 | 15 | 2019 |
| Prioritization of natural compounds against mycobacterium tuberculosis 3-dehydroquinate dehydratase: A combined in-silico and in-vitro study MY Lone, M Athar, VK Gupta, PC Jha Biochemical and biophysical research communications 491 (4), 1105-1111, 2017 | 15 | 2017 |
| Evaluation of fennel seed extract as a green corrosion inhibitor for pure aluminum in hydrochloric acid: an experimental and computational approach DG Ladha, PM Wadhwani, MY Lone, PC Jha, NK Shah Anal. Bioanal. Electrochem 7 (1), 59-74, 2015 | 15 | 2015 |
| Luminescent iridium (III) dipyrrinato complexes: synthesis, X-ray structures, and DFT and photocytotoxicity studies of glycosylated derivatives N Manav, MY Lone, MK Raza, J Chavda, S Mori, I Gupta Dalton Transactions 51 (10), 3849-3863, 2022 | 14 | 2022 |
| Identification of PfENR inhibitors: A hybrid structure‐based approach in conjunction with molecular dynamics simulations A Manhas, A Patel, MY Lone, PK Jha, PC Jha Journal of Cellular Biochemistry 119 (10), 8490-8500, 2018 | 14 | 2018 |
| Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations M Athar, MY Lone, PC Jha Journal of Inclusion Phenomena and Macrocyclic Chemistry 90, 157-169, 2018 | 13 | 2018 |
| Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors A Manhas, MY Lone, PC Jha Journal of Biomolecular Structure and Dynamics, 2019 | 12 | 2019 |
Prakash C JhaCentral University of Gujarat在 cug.ac.in 的电子邮件经过验证
