1/3 Just released my latest preprint! Introducing EVADE - a Python package designed for analyzing pocket volumes and dihedral correlations. Using EVADE, I uncovered statistical pitfalls and novel insights into the enigmatic protein 3CLPro. https://t.co/N02wmC1zf4
@adele_valeria I think evaluating whether a place is "better"/"worse" is a hard problem. A simple number ranking would struggle to capture the full range of factors. Saying "scores low on this particular scale" seems more accurate than "worst".
In 2020 I got a CNC machine for woodcarving. I recently discovered how to carve protein structures. It’s fun when an unrelated interest intersects with my work! (I chose ubiquitin as a test case b/c it’s small and well-known. The carving process should work for most proteins.)
The Program in Molecular Biophysics @JohnsHopkins is finally on Twitter! Follow us for news about our terrific graduate students and faculty. You can find out about our Ph.D. program at https://t.co/FwvsJszR6O . Please follow and RT!
New preprint from the Lau Lab and @Lab_FURUKAWA. We used molecular dynamics simulations and electrophysiology (@TsungHan_Chou) to study the role of D-serine binding to NMDAR LBDs.
So excited to share our lab’s newest paper with @Lab_FURUKAWA, including some of my thesis work using MD simulations and network modeling to study Fab binding to the NMDAR. Thankful to have worked with such an amazing team!
@fried_lab's first foray in structural bioinformatics is out on @github. Great work by new grad student, @ManriquezEdgar. DomainMapper annotates protein domain structure, and properly labels non-contiguous, insertional, and circularly permuted domains. https://t.co/4tQv8YGpnS
(Actually Albert Lau is my PI, not a co-worker... but including all that in a single well-structured tweet seemed difficult. Thus I wrote a simpler tweet, and added this long clarifying footnote. David Foster Wallace might approve!)
The TACTICS paper is published in JCIM! Thanks to @SanimRahman4@rem_yo@morgbeck@0xAfif (and David Cao, Milan Patel, and Albert Lau, whose twitters I don't know) for being great co-workers!
Pleased to share the exciting work led by @danielJEvans on identifying druggable pockets from molecular dynamics simulations is now published in JCIM!
https://t.co/jEG1NDYwCr
#BPS2021 is now underway... I'm excited to hear about the latest work from @rem_yo, shown in a Thursday 11:15-11:30 talk "Role of D-Serine Binding To The NMDA Receptor Ligand-Binding Domain". Having seen some of the data, I can assure you it's worth attending!
We developed ML-based software for finding cryptic sites. We applied the method to 3 proteins: two from SARS-CoV-2, and one from yersinia pestis. Thanks to everyone who contributed to the project! The preprint is available at https://t.co/EXaYDARGaQ