दीनदयाल उपाध्याय गोरखपुर विश्वविद्यालय
Deen Dayal Upadhyaya Gorakhpur University
(Accredited A++ by NAAC)
Dr. Dipendra Sharma
Assistant Professor
Department of Physics
Soft Condensed Matter Physics (Liquid Crystals) and Biophysics
| S.No. | Employer | Designation | From | To |
|---|---|---|---|---|
| 1 | DDU Gorakhpur University, Gorakhpur | Assistant Professor | 02/07/2018 | Till date |
| 2 | St. Joseph's College for Women, Civil Lines, Gorakhpur | Assistant Professor | 01/08/2016 | 30/06/2018 |
| S.No. | Title | Journal | Volume | Year | Contribution |
|---|---|---|---|---|---|
| 1 | In silico study of inhibition activity of boceprevir drug against 2019-nCoV main protease | Zeitschrift für Naturforschung C | 79 | 2024 | Corresponding Author |
| 2 | Ab-initio and molecular dynamics simulation of a discotic liquid crystal in ionic solution | Molecular Simulation | 49 | 2023 | Corresponding Author |
| 3 | DFT and Molecular Docking Studies of an Antiviral Drug: Molnupiravir | Indian Journal of Pure and Applied Physics | 61 | 2023 | Co-author |
| 4 | BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length | Theoretical Chemistry Accounts | 142 | 2023 | Co-author |
| 5 | Electro Optical Properties of MBBA Liquid Crystal Surrounded by Acetonitrile Medium Enhanced under the Presence of Electric Field: An Ab Initio Study | Macromolecular Symposia | 407 | 2023 | Corresponding Author |
| 6 | Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4' -cyanobiphenyl liquid crystal series: An application of DFT | Pramana: Journal of Physics | 97 | 2023 | Corresponding Author |
| 7 | Ab-initio, Molecular Docking and MD Simulation of an Anti-HIV Drug (Lamivudine): An In-silico Approach | Biomedical Materials & Devices | 1 | 2023 | Corresponding Author |
| 8 | First principles study of nonlinear optical, electronic properties and absorption spectra of some anti-HIV drugs: a comparative approach | Optical and Quantum Electronics | 55 | 2023 | Corresponding Author |
| 9 | Electro-optical, electronic and conformational transitions of interstellar alkyl molecules at different temperatures: An ab-initio study | Current Research in Green and Sustainable Chemistry | 5 | 2022 | Corresponding Author |
| 10 | In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug | Polycyclic Aromatic Compounds | 42 | 2022 | Corresponding Author |
| 11 | Systematic In Silico Studies of Corticosteroids and Its Binding Affinities with Glucocorticoid Receptor for Covid-19 Treatment: Ab-Initio, Molecular Docking and MD Simulation Studies | Polycyclic Aromatic Compounds | 43 | 2022 | Corresponding Author |
| 12 | Fluorination of 2, 5-diphenyl-1, 3, 4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis | Phase Transitions | 95 | 2022 | Corresponding Author |
| 13 | Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies | Polycyclic Aromatic Compounds | 42 | 2022 | Corresponding Author |
| 14 | Molecular structure, spectroscopic (IR, Raman, NMR, UV–vis) and molecular docking studies of an anticancer drug: isoDC81 | Materials Today: Proceedings | 47 | 2021 | Corresponding Author |
| 15 | Electronic and electro-optical properties of 5CB and 5CT liquid crystal molecules: A comparative DFT study | Pramana: Journal of Physics | 95 | 2021 | First Author |
| 16 | DFT study of electro-optical, electronic and thermal properties of 4-n-alkoxy-4'-cynobiphenyl liquid crystal series | Phase Transitions | 94 | 2021 | First Author |
| S.No. | Title | Sponsoring Agency | Year of Sanction | Budget (Lakh) |
Status |
|---|---|---|---|---|---|
| 1 | Studies of Molecular Structure and Physical Properties of Liquid Crystals | University Grants Commission, New Delhi, India | 2019 | 10.00 | Completed |
| S.No. | Name | Contact Details Year of Enrollment |
Type of Scholar | Topic | Research Status |
|---|---|---|---|---|---|
| 1 | Shiv Kumar | 9169725071 shivddugkp@gmail.com Enrollment Year: 2019 |
Research Scholar | Quantum Computational Studies on Some Anti HIV Drugs and their Binding Affinities with Protein Receptors | Ongoing |
| S.No. | Title of Chapter | Page Numbers | Title of Book | Publisher | ISBN | Year |
|---|---|---|---|---|---|---|
| 1 | Theoretical Investigation by Density Functional Theory and Molecular Docking of a Naturally Occurring Anticancer Drug: 9-Hydroxyellipticine | 117–123 | Recent Advances in Nanotechnology | Springer, Singapore | 978-981-99-4685-3 | 2023 |