Computational evaluation on molecular stability, reactivity, and drug potential of frovatriptan from DFT and molecular docking approach MK Chaudhary, A Srivastava, KK Singh, P Tandon, BD Joshi Computational and Theoretical Chemistry 1191, 113031, 2020 | 41 | 2020 |
MOLECULAR STRUCTURE, HOMO-LUMO AND VIBRATIONAL ANALYSIS OF ERGOLINE BY DENSITY FUNCTIONAL THEORY BD Joshi, G Thakur, MK Chaudhary Scientific World 14 (14), 21-30, 2021 | 27 | 2021 |
Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking MK Chaudhary, T Karthick, BD Joshi, P Prajapati, MSA de Santana, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 246, 118976, 2021 | 19 | 2021 |
Spectroscopic (FT-IR, Raman) analysis and computational study on conformational geometry, AIM and biological activity of cephalexin from DFT and molecular docking approach T Chaudhary, Manoj Kumar Chaudhary, Bhawani Datt Joshi, Maria Silmara ... Journal of Molecular Structure, 130594, 2021 | 16 | 2021 |
Renewable Polysaccharide and Biomedical Application of Nanomaterials R Kanaoujiya, SK Saroj, S Srivastava, MK Chaudhary Journal of Nanomaterials 2022, 1-16, 2022 | 12 | 2022 |
Computational evaluation on molecular stability and binding affinity of methyldopa against Lysine-specific demethylase 4D Enzyme through quantum chemical computations and … T Chaudhary, T Karthick, MK Chaudhary, P Tandon, BD Joshi Journal of Molecular Structure, 135518, 2023 | 7 | 2023 |
Molecular interactions and vibrational properties of ricobendazole: Insights from quantum chemical calculation and spectroscopic methods MK Chaudhary, P Prajapati, K Srivastava, KF Silva, BD Joshi, P Tandon, ... Journal of Molecular Structure 1230, 129889, 2021 | 5 | 2021 |
Formation of aminomethanol in ammonia-water interstellar ice KK Singh, P Tandon, R Kumar, A Misra, M Yadav, A Ahmad, ... Monthly Notices of the Royal Astronomical Society 506 (2), 2059-2065, 2021 | 4 | 2021 |
TOPOLOGICAL AND REACTIVITY DESCRIPTOR OF CARISOPRODOL FROM DFT AND MOLECULAR DOCKING APPROACH T Chaudhary, MK Chaudhary, BD Joshi Journal of Institute of Science and Technology 26 (1), 74-82, 2021 | 4 | 2021 |
Simulated spectra (IR and Raman), NLO, AIM and molecular docking of carisoprodol from DFT approach MK Chaudhary, T Chaudhary, BD Joshi Bibechana 18 (1), 48-57, 2021 | 3 | 2021 |
A Theoretical Study on Charge Transfer and Hyperpolarizability of (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic Acid T Chaudhary, MK Chaudhary, BD Joshi Journal of Nepal Physical Society 8 (1), 16-21, 2022 | 2 | 2022 |
Quantum Chemical Calculation and DFT Study of Sitagliptin: Insight from Computational Evaluation and Docking Approach MK Chaudhary, P Prajapati, BD Joshi Journal of Nepal Physical Society 6 (1), 73-83, 2020 | 2 | 2020 |
NBO, nonlinear optical and thermodynamic properties of 10-Acetyl-10H-phenothiazine 5-oxide BD Joshi, MK Chaudhary BIBECHANA 15, 131-139, 2018 | 2 | 2018 |
The experimental and theoretical spectroscopic elucidation of molecular structure, electronic properties, thermal analysis, biological evaluation, and molecular docking studies … T Chaudhary, MK Chaudhary, S Jain, P Tandon, BD Joshi Journal of Molecular Liquids, 2023 | 1 | 2023 |
Theoretical study on molecular stability, reactivity, and drug potential of cirsilineol from DFT and molecular docking methods Tirth Raj Paneru, Manoj Kumar Chaudhary, Tarun Chaudhary, Poonam Tandon ... Chemical Physics Impact 8, 14, 2024 | | 2024 |
STRUCTURAL PROPERTIES OF RICOBENDAZOLE AND CEFRADINE USING VIBRATIONAL SPECTROSCOPY AND QUANTUM CHEMICAL METHODS MK Chaudhary Central Library; Tribhuvan University, 2022 | | 2022 |