In-Silico Lead Druggable Compounds Identification against SARS COVID-19 Main Protease Target from In-House, Chembridge and Zinc Databases by Structure-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
利用基于结构的虚拟筛选、分子对接和分子动力学模拟,从内部数据库、Chembridge数据库和Zinc数据库中筛选针对SARS COVID-19主要蛋白酶靶点的计算机辅助先导药物化合物
期刊:Bioengineering-Basel
影响因子:3.8
doi:10.3390/bioengineering10010100
Ghufran, Mehreen; Ullah, Mehran; Khan, Haider Ali; Ghufran, Sabreen; Ayaz, Muhammad; Siddiq, Muhammad; Abbas, Syed Qamar; Hassan, Syed Shams Ul; Bungau, Simona