Hacking up biomolecules to understand how mercury causes so much trouble
Demian Riccardi will give a talk at YAPC::NA 2012 described as:
I will present some recent tools I have developed to characterize the interactions of Mercury and other metals with biological molecules as present in the protein databank. I will show how I use Perl with Moose and other CPAN modules to easily carve up thousands of structures and generate useful information. Time permitting, I will also discuss how I manage quantum chemistry calculations using various electronic structure programs… all filtered through the same molecular objects.
[From the YAPC::NA Blog.]