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    논문명(한글) Molecular docking of monkeypox (mpox) virus proteinase with FDAapproved lead molecules
    논문명(영문) Molecular docking of monkeypox (mpox) virus proteinase with FDAapproved lead molecules
    성과주관부서 국립축산과학원 축산자원개발부 초지사료과
    품목코드
    학술지명 Journal of Infection and Public Health 주저자 M.Valan Arasu
    성과년도 성과적용일 2023년06월
    The confidence level of the submitted amino acids was > 80 % and the maximum confidence score for a single template was 98.2 %. The generated proteinase model was subjected to analyze the distribution of atoms and the using ERRAT server. The overall quality score was 88.535 and this value represents the amino acid percentage with anticipated error value and the value falling below the rejection limit. The Zscore of this study result was within the Z-score range (−4.17) validated for native enzymes. The binding pockets of the enzyme were determined in this study and two binding pockets were predicted using the automatic online tool using the web server. The selected FDA-approved drugs were ordered based on their minimum binding energy to the proteinase.
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