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| Computer-aided drug design of Azadirachta indica compounds against nervous necrosis virus by targeting grouper heat shock cognate protein 70 (GHSC70): quantum mechanics calculations and molecular dynamic simulation approaches |
| Sk Injamamul Islam, Saloa Saloa, Sarower Mahfuj, Md Jakiul Islam, Moslema Jahan Mou |
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Genomics Inform. 2022;20(3):e33 Published online September 30, 2022 DOI: https://doi.org/10.5808/gi.21063 |
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Computer-aided drug design of Azadirachta indica compounds against nervous necrosis virus by targeting grouper heat shock cognate protein 70 (GHSC70): quantum mechanics calculations and molecular dynamic simulation approaches Genomics & Informatics. 2022;20(3):e33  Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 protein targets . 2020; Oral immunizations with Bacillus subtilis spores expressing MCP protein provide protection against red-spotted grouper nervous necrosis virus (RGNNV) infection in juvenile grouper, Epinephelus coioides Aquaculture. 2022;552:738008 Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes Computer-Aided Drug Design. 2020;133-161 Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) . 2021; Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) . 2021; The antiviral role of heat shock protein 27 against red spotted grouper nervous necrosis virus infection in sea perch Fish & Shellfish Immunology. 2017;70:185-194 The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations Journal of Computer-Aided Molecular Design. 1996;10(2):153-164 Heat shock protein 72 (HSP72); heat shock cognate 70 (HSC70) Science-Business eXchange. 2008;1(33):798-798 Heat calculations by computer Computer-Aided Design. 1973;5(3):196 |
