Browsing Biochemistry and Microbial Sciences-Research Publications by Subject "MD simulation"
Now showing items 1-3 of 3
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Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies
(Taylor and Francis Ltd., 2020)Coronaviruses are contagious pathogens primarily responsible for respiratory and intestinal infections. Research efforts to develop antiviral agents against coronavirus demonstrated the main protease (Mpro) protein may ... -
Novel Eubacterium rectale inhibitor from Coriandrum sativum L. for possible prevention of colorectal cancer: a computational approach
(Taylor and Francis Ltd., 2022-10-20)This research aims to screen out the effective bioactive compounds from Coriander (Coriandrum sativum L.), which may be novel potential inhibitors of Eubacterium rectale for the prevention of colorectal cancer (CRC). A ... -
Structural, functional and evolutionary analysis of wheat WRKY45 protein: a combined bioinformatics and MD simulation approach
(Akademiai Kiado ZRt., 2023-06-01)Bread wheat (Triticum aestivum L.) is the world's as well as India�s second-most important cereal crop. It is an allohexaploid composed of three homeologous sub-genomes (AA, BB, and DD), which is a constraint in determining ...