Restrained electrostatic potential atomic partial (RESP) charges calculation is nowadays a common practice to prepare ligands for MD simulations. 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
I just finished (well… created, because right now it is under construction) my personal webpage!!. I had the idea of making a personal webpage since time ago. Read more