Recently, in Burua Scientific we have published a new article highlighting the potentially beneficial role of computer-aided drug design (CADD) techniques in marine drug discovery. As we said in the article, the oceans are an incredible source of bioactive compounds. But these compounds, once identified, are not easy to work with for a variety of reasons. Read more
Restrained electrostatic potential atomic partial (RESP) charges calculation is nowadays a common practice to prepare ligands for MD simulations. Read more
As a course instructor of python, when the course arrives to the end is usual that some students ask me about extra resources to further develop their skills in python Read more
The new release of PLIP, one of the most useful and complete tools to analyze protein-ligand interactions has been recently published in Nucleic Acids Research Read more
I guess it’s done!!. The web page is fully working in a way that I like it (it can be improved in several ways, and maybe I do it in the future, but not now). Read more