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 | 40 | 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 | 18 | 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 | 11 | 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 |
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 |
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 | 3 | 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 |
STRUCTURAL PROPERTIES OF RICOBENDAZOLE AND CEFRADINE USING VIBRATIONAL SPECTROSCOPY AND QUANTUM CHEMICAL METHODS MK Chaudhary Central Library; Tribhuvan University, 2022 | | 2022 |
Theoretical study on molecular stability, reactivity, and drug potential of cirsilineol from DFT and molecular docking methods TRP Manoj Kumar Chaudhary, Tarun Chaudhary, Poonam Tandon, Bhawani Datt Joshi | | |