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The following term was not found in PubMed: Raghuwar
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Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis.
Bhanu P, Setlur AS, K C, Niranjan V, Hemandhar Kumar N, Buchke S, Kumar J, Rani A, Tiwari SM, Mishra V. Bhanu P, et al. Bioinformation. 2023 Feb 28;19(2):149-159. doi: 10.6026/97320630019149. eCollection 2023. Bioinformation. 2023. PMID: 37814677 Free PMC article.
We selected fifty one drugs already known for their potential disease treatment roles in various studies and subjected to docking and molecular docking simulation (MDS) analyses. Five of them showed promising features that are discussed and suggested as potential candidate …
We selected fifty one drugs already known for their potential disease treatment roles in various studies and subjected to docking and molecu …
Promising inhibitors of nsp2 of CHIKV using molecular docking and temperature-dependent molecular dynamics simulations.
Meena MK, Kumar D, Kumari K, Kaushik NK, Kumar RV, Bahadur I, Vodwal L, Singh P. Meena MK, et al. J Biomol Struct Dyn. 2022 Aug;40(13):5827-5835. doi: 10.1080/07391102.2021.1873863. Epub 2021 Jan 21. J Biomol Struct Dyn. 2022. PMID: 33472563
This is based on the energy obtained from van der Waal's interaction, hydrogen bonding and electrostatic instructions. Further, molecular dynamics simulations (MDS) of nsp2 of CHIKV with and without screened compound (222) were performed to validate the docking results and …
This is based on the energy obtained from van der Waal's interaction, hydrogen bonding and electrostatic instructions. Further, molecular dy …