Riccardo Guareschi

2 Questions 4 Answers 0 Followers

Questions related from Riccardo Guareschi

How to efficiently and consistently perform hierarchical clustering on a library of molecules?

My aim is to cluster a set of molecules coming from a virtual screening (in the order of thousands of compounds). I want to cluster them by chemical similarity using hierarchical clustering. The...

08 February 2018 2,557 3 View

Where can I find the geometrical restraints of protein structures resolved with NMR spectroscopy?

I am looking for "raw data" of a NMR structure that I am currently studying. I am mostly interested in finding the geometrical restraints used. I have looked into the PDB and BMRB databases, but I...

23 October 2017 6,889 4 View