Hydrogen bonding in drugs

A member of my group, Patrick McCarren, worked on modeling the hydrogen bonds in some molecules at the Broad Institute that we screen as potential drugs.  It was part of a very nice paper which included a lot of solid experimental work:
http://pubs.acs.org/doi/abs/10.1021/jm500059t

It got a write up here:
http://wavefunction.fieldofscience.com/2014/02/hiding-hydrogen-bonding-groups-in-large.html

and here:
http://pipeline.corante.com/archives/2014/02/28/computational_nirvana.php