Personal Blog




Protein–ligand interactions from a quantum fragmentation perspective: The case of the SARS-CoV-2 main protease interacting with α-ketoamide inhibitors

I announce a publication about applying our complexity reduction framework to the study of α-ketoamide inhibitors of SARS-CoV-2. I also do some travel blogging about Tromsø, Norway.



Reading Roundup - April 2023

Some papers and blog posts I recommend.



French Coffee

After my recent trip to France, I have some thoughts and experiments about how to brew a "un café".



Experimental–theoretical study of laccase as a detoxifier of aflatoxins

I share a publication I worked on where we studied the Laccase enzyme for bioremediation application.



Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity

I announce a new publication which explores the potential of linear scaling DFT for practical calculations.