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Homology modeling, docking, molecular dynamics simulation, and structural analyses of coxsakievirus B3 2A protease: an enzyme involved in the pathogenesis of inflammatory myocarditis. |
Int J Biol Macromol |
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Exploring the dynamics of four RNA-dependent RNA polymerases by a coarse-grained model. |
J Phys Chem B |
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The joys and perils of flexible fitting. |
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Volkmann N |
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Molecular mechanism of a specific capsid binder resistance caused by mutations outside the binding pocket. |
Antiviral Res |
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Braun H;Kirchmair J;Williamson MJ;Makarov VA;Riabova OB;Glen RC;Sauerbrei A;Schmidtke M |
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Toward development of generic inhibitors against the 3C proteases of picornaviruses. |
FEBS J |
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Banerjee K;Bhat R;Rao VUB;Nain A;Rallapalli KL;Gangopadhyay S;Singh RP;Banerjee M;Jayaram B |
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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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In silico screening predicts common cold drug Dextromethorphan along with Prednisolone and Dexamethasone can be effective against novel Coronavirus disease (COVID-19). |
J Biomol Struct Dyn |
2022 |
Sarkar I;Sen A |
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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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Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M(pro)) of SARS-CoV-2. |
J Mol Model |
2021 |
Ghosh A;Chakraborty M;Chandra A;Alam MP |
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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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