My new preprint is up

As part of their undergraduate training, our students are required to write a short thesis. Usually, due to the paucity of research funding, their theses take the format of a literature review. A few years ago, however, I proposed a computational study to the student I had been assigned. Despite no previous acquaintace with the subject, she eagerly took the task and performed some computations on possible reaction mechanisms of the organomercurial lyase MerB. She only had the time to compute a few of the possible pathways and therefore, after she had written her thesis with the data she had managed to gather, I completed the analysis of  the other pathways we had thought of at the time, and a few that we had not envisaged. Writing it as a paper took me much longer than I had anticipated, mostly because I kept postponing it due to the thrill of running computations on other enzymes and projects. I have now managed to finish it and submitted it to PeerJ, where it is undergoing review. I have made it available as a Preprint, and would be thankful for any comments about it.


Addendum: the paper has been published