In the previous workflow I described docking a set of ligands with known activity into a target protein, in this workflow we will be using a set
Category: Other Tips
Other tips or tutorials
Whilst high-throughput screening (HTS) has been the starting point for many successful drug discovery programs the cost of screening, the lack of accessibility of a
The RCSB Protein Data Bank is an absolutely invaluable resource that provides archive-information about the 3D shapes of proteins, nucleic acids, and complex assemblies that helps scientists
If you are a regular user of ChemDraw you may be aware of the keyboard shortcuts that enable to quickly enter chemical structures.In fact there
Today I was sent a license agreement as a 6 page pdf file, I was asked to sign the document and send it back. All
PDF seems to have become the standard for online distribution of publications, this is despite many obvious limitations. In particular from the point of view
Clustering is an invaluable cheminformatics technique for subdividing a typically large compound collection into small groups of similar compounds. One of the advantages is that
I’m regularly handling very large files containing millions for chemical structures and whilst BBEdit is my usual tool for editing text files in practice it