William Thompson, former undergrad researcher, won an NSF graduate fellowship

William Thompson, who did research in the Salsbury group for a couple years, wrote his honors thesis based on his work, and co-authored two manuscripts, has been awarded an NSF graduate fellowship.  Good work William! He did change fields after graduation from computational biophysics to particle physics, but that shows the generality of a physics […]

New article: MutSa, allostery in response to ligand binding, and machine learning.

First, I have been very bad about posting news. It has been a productive half year in the Salsbury Group. However, I will break the drought of news, by announcing our latest accepted manuscript in Frontiers in Physics, “MutSα’s Multi-Domain Allosteric Response to Three DNA Damage Types Revealed by Machine Learning.”  This article focuses on […]

Python implementation of quality threshold cluster for molecular dynamics

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.

Just accepted MD Zn-F10 article in the Journal of Physical Chemistry B

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 […]