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An insight into the simulation directed understanding of the mechanism in SARS CoV-2 N-CTD, dimer integrity, and RNA-binding: Identifying potential antiviral inhibitors.
Chauhan A, Avti PK, Shekhar N, Prajapat M, Sarma P, Sangwan N, Singh J, Bhattacharyya A, Kumar S, Kaur H, Sharma S, Prakash A, Medhi B. Chauhan A, et al. Among authors: kaur h. J Biomol Struct Dyn. 2022;40(24):13912-13924. doi: 10.1080/07391102.2021.1996463. Epub 2021 Nov 9. J Biomol Struct Dyn. 2022. PMID: 34751101
In Silico Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dynamics and Binding Free Energy Calculations.
Shekhar N, Sarma P, Prajapat M, Avti P, Kaur H, Raja A, Singh H, Bhattacharya A, Sharma S, Kumar S, Prakash A, Medhi B. Shekhar N, et al. Among authors: kaur h. mSystems. 2020 Sep 22;5(5):e00382-20. doi: 10.1128/mSystems.00382-20. mSystems. 2020. PMID: 32963099 Free PMC article.
Structural-Based Virtual Screening of FDA-Approved Drugs Repository for NSP16 Inhibitors, Essential for SARS-COV-2 Invasion Into Host Cells: Elucidation From MM/PBSA Calculation.
Kumar S, Singh H, Prajapat M, Sarma P, Bhattacharyya A, Kaur H, Kaur G, Shekhar N, Kaushal K, Kumari K, Bansal S, Mahendiratta S, Chauhan A, Singh A, Soloman Singh R, Sharma S, Thota P, Avti P, Prakash A, Kuhad A, Medhi B. Kumar S, et al. Among authors: kaur g, kaur h. Bioinform Biol Insights. 2023 Jul 31;17:11779322231171777. doi: 10.1177/11779322231171777. eCollection 2023. Bioinform Biol Insights. 2023. PMID: 37533429 Free PMC article.
Virtual screening and molecular dynamics simulation study of approved drugs as a binder to the linoleic acid binding site on spike protein of SARS-CoV-2 and double mutant (E484Q and L452R).
Prajapat M, Sarma P, Shekhar N, Chauhan A, Kaur G, Bhattacharyya A, Avti P, Choudhary G, Bansal S, Sharma S, Kaur H, Kumar S, Mann H, Raja A, Singh A, Singh R, Sharma AR, Prakash A, Medhi B. Prajapat M, et al. Among authors: kaur g, kaur h. Indian J Pharmacol. 2022 Nov-Dec;54(6):431-442. doi: 10.4103/ijp.ijp_111_22. Indian J Pharmacol. 2022. PMID: 36722555 Free PMC article.
2,536 results