Bioinformatic lab was designed to perform calculations on several chemical studies, especially for structural based drug design. Some computational software is available in our bioinformatics lab. We not only used some open source or free software, for example: Chimera, PyMOL, and VMD, but also installed some licensed software for example AMBER and Gaussian. Our recent research is about discovery of new compounds for combating COVID-19. We are also designing new bioactive compounds for curing other diseases with recent computational methods. It starts from virtual compounds, structure optimization, quantum mechanics calculation, virtual screening with molecular docking. With this method we can screen a large number of compounds in a short time. The screened compounds were further calculated and validated using molecular dynamic simulation. Based on molecular dynamic results, we have several candidates for synthesis and further screened with in vitro or in vivo assays.