One of the clustering methods we use is quality threshold clustering. Originally developed for gene clustering, Heyer et al Genome Res 1999 9, 1105-115, we use it as part of analysis of molecular dynamics simulations.
We decided to put up our python implementation of it at figshare.
Ryan Melvin just had his second article, "All-Atom MD Reveals Mechanism of Zinc Complexation with Therapeutic F10" accepted for publication in the Journal of Physical Chemistry B.
It's part of a collaboration with Bill Gmeiner in Cancer Biology focusing on understanding and hopefully one day improving on F10-based therapies. Also part of an interest that our group has had in zinc off and on since Dr. Salsbury was a post-doc.
Dr. Lu, a former postdoc, has moved on and has taken a position at Xidian University as an assistant professor. Congrats!
A little late, but Ryan Melvin was awarded a T32 training grant in Structural and Computational Biophysics for 2016-17. Congrats!
Between summer research and my starting a semester sabbatical, I've been slow to post news or do anything on our website. Oops. I'll try and do better.
My sabbatical will be in residence, focusing on more time on research and grant writing, and hopefully avoiding being roped into any campus service work.
Ryan Melvin has his first publication with me, in the Journal of Molecular Graphics and Modeling. Titled "Visualizing ensembles in structural biology" it is a methods paper looking at using statistics to improve how we visualize macromolecular fluctuations. Check it out either on science direct or here.
As we know, it is easy to get unsolvable transcendental equations in classical mechanics, even if we can find solutions to the relevant differential equations. Here, Ryan Melvin demos how to use series approximations to find the range in a projectile motion problem with friction.