| Renu P., Sunita B. |
Isomerization of Silylnitrene to Silanimine: A Density Functional Study |
2022 |
Research Journal of Chemistry and Environment |
| Kumari K., Kumar A., Bahadur I., Singh P. |
Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID-19: Density functional theory calculations and molecular docking approach |
2022 |
Journal of Physical Organic Chemistry |
| Singh Raman A.P., Jain P., Kumar A., Tomar J., Kaushik N., Choi E.H., Kaushik N.K., Negadi L., Singh P. |
Investigate oxoazolidine-2,4-dione based eutectic mixture via DFT calculations and SAR |
2022 |
Journal of the Indian Chemical Society |
| Vishvakarma V.K., Pal S., Singh P., Bahadur I. |
Interactions between main protease of SARS-CoV-2 and testosterone or progesterone using computational approach |
2022 |
Journal of Molecular Structure |
| Kumari K., Kumar A., Singh P., Kaushik N.K. |
In silico study of remdesivir with and without ionic liquids having different cations using DFT calculations and molecular docking |
2022 |
Journal of the Indian Chemical Society |
| Prashant Singh |
In silico prediction of novel Drug-target complex of non-structural protein-3 (nsP3) protease of Chikungunya (CHIKV) through Re-docking and temperature dependent Molecular Dynamic Simulation |
2022 |
Heliyon |
| Vishvakarma V.K., Singh M.B., Jain P., Kumari K., Singh P. |
Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations |
2022 |
Amino Acids |
| Kumar R.V., Srivastava D., Singh V., Kumar U., Vishvakarma V.K., Singh P., Kumar D., Kumar R. |
Characterization, biological evaluation and molecular docking of mulberry fruit pectin |
2022 |
Scientific Reports |
| Chaudhary M., Pal S., Kumari K., Bahadur I., Gambhir G., Singh P. |
Role of ionic liquids and their future alternative toward protein chemistry |
2022 |
Advanced Applications of Ionic Liquids |
| Alka, Yadav S., Singh P., Jain P. |
Polymeric membranes as sustainable material for water desalination: a review |
2022 |
Desalination and Water Treatment |
| Yadav S., Kaushik S., Dheer N., Kumar S., Singh G., Chaudhary M.Y., Gupta M. |
Experimental investigation of anti-corrosive behaviour of Beta vulgaris: A green approach |
2023 |
Journal of Applied and Natural Science |
| Dr. Anjali Verma |
Graphite carbon nitride based heterojunction nanocomposite for degradation of organic dyes |
2022 |
Materials Today: Proceedings |
| Sharma P., Sharma N., Kashyap G., Bhagat S. |
First Total Synthesis of the Marine-Derived Anti-inflammatory Natural Product (-)-Herdmanine D through a Steglich Esterification |
2022 |
Synlett |
| Chandekar K.V., Shkir M., Yadav S.P., Behera P.K., AlFaify S. |
Facile synthesis of Mn-doped ZnO nanoparticles by flash combustion route and their characterizations for optoelectronic applications |
2022 |
Journal of Materials Science: Materials in Electronics |
| Prashant Singh |
Exploring the temperature dependent Molecular Dynamics Simulations for the inhibition of nsp3 of CHIKV |
2022 |
Journal of Molecular Liquids |
| Kumar D., Meena M.K., Kumari K., Kumar R.V., Bahadur I., Jain P., Singh P. |
Exploring the effect of temperature on inhibition of non-structural protease 3 of Chikungunya virus using molecular dynamics simulations and thermodynamics parameters |
2022 |
Journal of Molecular Liquids |
| Dr. Naorem Premjit Singh |
Effects of annealing temperatures on the structural and photoluminescence properties of Tb³⁺ ions doped BiPO₄ nanophosphors |
2022 |
Materials Technology (Taylor & Francis) |
| Naorem R.S., Singh N.P., Shagolsem B.S., Singh N.H., Gogoi J., Singh N.M. |
Effect of annealing temperatures on the structural and photoluminescence properties of Tb³⁺ ions doped BiPO₄ nanophosphors |
2022 |
Materials Technology |
| Sunita Bhagat |
Effect of a novel succinamic acid derivative as potential anti-diabetic agent in experimental diabetic rats |
2022 |
Journal of Drug Delivery and Therapeutics |
| Raman A.P.S., Singh M.B., Chaudhary M., Bahadur I., Jain P., Kaushik N., Choi E.H., Kaushik N.K., Lal A.A., Singh P. |
DFT calculations, molecular docking and SAR investigation for the formation of eutectic mixture using thiourea and salicylic acid |
2022 |
Journal of Molecular Liquids |
| Prashant Singh |
Designed thiazolidines: An arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulations |
2022 |
Journal of Biomolecular Structure and Dynamics |
| Vinod Kumar, Lal S., Kumar S., Jagdeva G., Kumar P., Verma A., Kuzmin A. |
Preparation of Ecofriendly Viable Packaging Films Based on Pectin and Agro-Waste: Thermal and Mechanical Studies by Design of Experiments Approach |
2023 |
Polymer Science – Series A |
| Renu P., Sunita B. |
Density Functional Study of the Reaction Pathways of the Decomposition of Azidoborane: A Curtius-type Rearrangement |
2022 |
Research Journal of Chemistry and Environment |
| Thamke V., Singh P., Pal S., Chaudhary M., Kumari K., Bahadur I., Varma R.S. |
Current toxicological insights of ionic liquids on various environmental living forms |
2022 |
Journal of Environmental Chemical Engineering |
| Jain P., Vishvakarma V.K., Singh P., Chandra S., Kumar D., Misra N. |
Co(II) and Ni(II) Complexes of a Heterocyclic Ligand: Synthesis, Characterization, Docking and Biological Activity |
2022 |
Iranian Journal of Science and Technology, Transaction A: Science |
| Kumari N., Adhikari A., Singh D., Bhagat S., Ojha H., Tiwari A.K. |
Benzoxazolone-arylpiperazinyl scaffold-based PET ligand for 5-HT7: Synthesis and biological evaluation |
2022 |
Drug Development Research |
| Kabanda M.M., Bahadur I., Singh P. |
Antioxidant and anticancer properties of plant-based bioactive flavonoids cardamonin and alpinetin: A theoretical insight from •OOH antiradical and Cu(II) chelation mechanisms |
2022 |
Journal of Physical Organic Chemistry |
| Subash Chandra Mohapatra |
Biocatalytic-Mediated Selective Acylation–Deacylation Chemistry on the Secondary Hydroxy/Amine Groups of Nucleosides |
2022 |
Nucleosides, Nucleotides & Nucleic Acids |
| Prof. Sunita Bhagat |
Analysis of Arsenic in Urine Using Atomic Absorption Spectrophotometer by Vapour Generator Assembly |
2022 |
Biomed JSci & Tech Res. |
| Prof. Prashant |
An update on synthesis, properties, applications and toxicity of the ILs |
2022 |
Journal of Molecular Liquids |
| Raman A.P.S., Singh M.B., Vishvakarma V.K., Jain P., Kumar A., Sachdeva S., Kumari K., Singh P. |
An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics simulations |
2022 |
Journal of Biomolecular Structure and Dynamics |
| Singh M.B., Kumar A., Jain P., Singh P., Kumari K. |
An insight of novel eutectic mixture between thiazolidine-2,4-dione and zinc chloride: Temperature-dependent density functional theory approach |
2022 |
Journal of Physical Organic Chemistry |
| Aslam M., Goswami A.G., Bhawna, Singh P., Kumar V., Pant B.N., Pandey G., Kumari K. |
An Understanding for the Synthesis of Metal NPs to Photocatalysis to Toxicity |
2023 |
Plasmonics |
| Sharma R., Kumar S., Bhawna, Gupta A., Dheer N., Jain P., Singh P., Kumar V. |
An Insight of Nanomaterials in Tissue Engineering from Fabrication to Applications |
2022 |
Tissue Engineering and Regenerative Medicine |
| Kumar A., Kumari K., Raman A.P.S., Jain P., Kumar D., Singh P. |
An insight for the interaction of drugs (acyclovir/ganciclovir) with various ionic liquids: DFT calculations and molecular docking |
2022 |
Journal of Physical Organic Chemistry |
| Babu Singh M., Jain P., Tomar J., Kumar V., Bahadur I., Arya D.K., Singh P. |
An In Silico investigation for acyclovir and its derivatives to fight COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations |
2022 |
Journal of the Indian Chemical Society |
| Vishvakarma V.K., Chandra R., Singh P. |
An experimental and theoretical approach to understand fever, dengue & its cure |
2022 |
Infectious Disorders – Drug Targets |
| Raghav L., Patanjali P., Patanjali N., Singh R. |
Adsorption of malachite green and chrysoidine-Y by Sn-pillared clay |
2022 |
Environmental Quality Management |
| Raghav L., Patanjali P., Chopra I., Singh R. |
Adsorption and kinetic studies for removal of basic dyes using pillared bentonites |
2022 |
Indian Journal of Chemical Technology |
| Kumar D., Kumari K., Chandra R., Jain P., Vodwal L., Gambhir G., Singh P. |
A review targeting the infection by CHIKV using computational and experimental approaches |
2022 |
Journal of Biomolecular Structure and Dynamics |
| Prof. Sunita Bhagat |
A possible SPECT agent to understand the role of 18-kDa translocator protein (PBR/TSPO) during neuro-glial interaction |
2022 |
Bioorganic Chemistry |
| Singh M.B., Kumar V.S., Chaudhary M., Singh P. |
A mini review on synthesis, properties and applications of deep eutectic solvents |
2022 |
Journal of the Indian Chemical Society |
| Dr. Sunita Bansal |
A density functional study of rearrangement reaction of 2,3-epoxypropoxide anion: Payne Rearrangement |
2022 |
Journal of Emerging Technologies and Innovative Research |
| Sharma P., Thakur D., Kumar D., Yadav O. |
Unveiling Xanthine Presence in Rohu Fish Using Ag⁺-Doped MoS₂ Nanosheets Through Electrochemical Analysis |
2023 |
Applied Biochemistry and Biotechnology |
| Raman A.P.S., Singh M.B., Vishvakarma V.K., Jain P., Kumar A., Sachdeva S., Kumari K., Singh P. |
An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics simulations |
2023 |
Journal of Biomolecular Structure and Dynamics |
| Jeengar C., Tomar M., Jindal K., Sharma A., Jha P.K. |
Influence of post deposition annealing on thermoelectric properties of In₂Se₃ thin films |
2023 |
Materials Science in Semiconductor Processing |
| Saroha B., Kumar A., Bhan V., Singh S., Tumba K., Singh P., Bahadur I. |
Interaction of heavy metals in Drosophila melanogaster larvae: Fourier transform infrared spectroscopy and single-cell electrophoresis study |
2023 |
Journal of Biomolecular Structure and Dynamics |
| Dheer N., Kalra A.K., Singh D., Ujjain S.K., Ahuja P., Kumar R., Singh P., Johar N.K., Singh M.R., Kanojia R. |
Mild steel corrosion inhibition by nicotinamide as a green inhibitor: An electrochemical, thermodynamic and theoretical insight |
2023 |
International Journal of Corrosion and Scale Inhibition |
| Abrar Siddiquee M., Saraswat J., ud din Parray M., Singh P., Bargujar S., Patel R. |
Spectroscopic and DFT study of imidazolium based ionic liquids with broad spectrum antibacterial drug levofloxacin |
2023 |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Kabanda M.M., Bahadur I., Singh P. |
Antioxidant and anticancer properties of plant-based bioactive flavonoids cardamonin and alpinetin: A theoretical insight from •OOH antiradical and Cu(II) chelation mechanisms |
2023 |
Journal of Physical Organic Chemistry |
| Bachan Meena |
Book Chapter – Metal–Organic Framework Sponges for Water Remediation, Nanosponges for Environmental Remediation |
2024 |
Springer |
| Meenakshi Gupta |
Analytical Methods in Chemical Analysis |
2025 |
De Gruyter |