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Human Rhinovirus Inhibition Through Capsid "Canyon" Perturbation: Structural Insights into The Role of a Novel Benzothiophene Derivative. |
Cell Biochem Biophys |
2020 |
Agoni C;Ramharack P;Munsamy G;Soliman MES |
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Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study. |
J Biomol Struct Dyn |
2022 |
Sen D;Debnath P;Debnath B;Bhaumik S;Debnath S |
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Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2. |
J Biomol Struct Dyn |
2022 |
Sahu SN;Mishra B;Sahu R;Pattanayak SK |
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In silico screening and covalent binding of phytochemicals of Ocimum sanctum against SARS-CoV-2 (COVID 19) main protease. |
J Biomol Struct Dyn |
2023 |
Mohapatra PK;Chopdar KS;Dash GC;Mohanty AK;Raval MK |
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Dual-Inhibition of Human N-Myristoyltransferase Subtypes Halts Common Cold Pathogenesis: Atomistic Perspectives from the Case of IMP-1088. |
Chem Biodivers |
2022 |
Agoni C;Salifu EY;Enslin G;Kwofie SK;Soliman ME |
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Advanced simulations and screening to repurposing a 3C protease inhibitor against the rupintrivir-resistant human norovirus-induced gastroenteritis. |
J Mol Graph Model |
2022 |
Behmard E;Ghasemian A;Barzegari E;Farjadfar A;Kouhpayeh A;Najafipour S |
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