I know starting a blog isn't really a new idea. But I still hope I can contribute with another easy reading blog with a few nice pictures and intersting trivia.
I would like to post pictures of some cool molecules. There are nice free programs like ArgusLab and PyMOL that I can suggest to everyone who's interested in modeling and visualisation. I like producing graphics with them once in a while. These will be shown here.
And there are a lot of amazing things related to chemistry I would like to talk about. Mostly theoretical chemistry, hopefully I can still make them readable for everyone.
Finding the reference molecule for a pKa calculation using RDKit - This is prototype code related to this project. I use Histamine as an example which has two ionizable sites: a primary amine and an imidazole ring. The...
5 days ago