![]() It is not easy to compare different solutions directly because the tool is only as useful as the system you are studying. Autodock, Autodock VINA, Glide, Fred, DOCK, Gold are just a few examples. Marko & Natalia: Molecular Docking is a complex and multifaceted problem, and there are many computational tools for this task. Matteo: What is RXDock? (And CurieMariedock too?) Is it open source? In what way is it different/better/worse than the well-known Autodock? Last but not least, we want to be transparent and collaborate with the community. Our goal is to place the compounds for biological evaluation. Our goal is to build ever more extensive libraries of compounds to cover novel chemical space. What we can tell you with certainty is this: We are a focused group of scientists in the field of drug design, to conduct a series of scientific projects on focused targets (now it is only 3CLpro, the next target is being carefully studied). We see that OpenPandemics has many much-needed approaches, and the Ibercivis CORONA project is also starting on a good foundation. We are not entirely familiar with the OpenPandemics and Ibercivis CORONA projects, but I think we are similar. Marko & Natalia: Yes, in science, many issues are being studied in parallel, and our project is just one of the many options proposed by the community, such as JEDI Grand Challenge ( ). Of course, redundancy in science is a good thing, but is this project in any way different or is it testing the same molecules and targets of OpenPandemics? And maybe the same as Ibercivis?” They are testing the database ZINC ( ) against several targets of the virus, and their processing power is much higher than here. Matteo: There is a very similar project to the World community grid, Open Pandemics – COVID 19 ( ). In the future, we want to create produce compounds that have activity on physical systems and can serve as probes for virus research or as lead structures for drug development. Namely, we are now working on getting support from synthesis and biology groups to get testing facilities on isolated proteins as well as on cell lines. ![]() However, as we work, we have an international network with which we cooperate, and we are supported by other research groups and laboratories all over the world. Yes, so the member organisations are the University of Maribor, the University of Ljubljana, CTK Ljubljana, the Karelian Research Center of Russian Academy of Sciences,… namely our primary institutions. The project grew slowly, and since we are all in academic institutions, we also received support from them. We discussed how we could help, and modestly started a small project. Marko & Natalia: Well, it was a small organic project that started with a beer between colleagues from the field of drug design and medicinal chemistry here in Slovenija.
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