News

Robustelli Laboratory Awarded Funding From the Dartmouth Innovations Accelerator for Cancer (DIAC)

This year, Paul and Jiaqi participated in the Dartmouth Innovations Accelerator for Cancer (DIAC), a program sponsored by the Dartmouth Magnuson Center for Entrepreneurship.   

They developed a venture capital pitch titled "A Drug Discovery Platform for Intrinsically Disordered Proteins" and competed in two pitch contests judged by an external review panel of biotech entrepreneurs and investors.  This pitch was awarded the $25,000 research funding Stu Trembly Award this winter, and in the spring they split the "Venture Development Award", the top prize in the final contest, and were awarded an additional $150,000 in research funding

The Robustelli Laboratory will be utilizing this funding to develop new methods to design small molecule inhibitors for IDPs.

Paul and Jiaqi had a great experience in the accelerator, and learned a great deal about biotech entrepreneurship!

"Molecular Basis of Small-Molecule Binding to α-synulcein" published in JACS

Our paper​ "Molecular Basis of Small-Molecule Binding to α-synulcein" is now out in JACS:

https://pubs.acs.org/doi/abs/10.1021/jacs.1c07591

Code for the analyses can be found at:


https://github.com/paulrobustelli/asyn_calcs

And all trajectories (>6 milliseconds of explicit solvent MD of IDPs with over 50 small-molecule ligands) are available upon request from:

Trajectories@DEShawResearch.com

We hope others can use this code and these trajectories to help the field obtain more mechanistic insight into IDP ligand binding modes!  

Conformational Ensemble of a Disordered Region of the Transactivation Domain of the Androgen Receptor now released on the Protein Ensemble Database

We're very happy to have our first entry in the protein ensemble database released:

https://proteinensemble.org/PED00206

This is an NMR-reweighted MD ensemble of the Tau-5_R2R3 region of the Androgen Receptor from our paper 

"Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States"

https://www.biorxiv.org/content/10.1101/2021.12.23.474012v1.abstract

The full trajectory, and the code to perform the reweighting, are available:

https://github.com/paulrobustelli/AR_ligand_binding

The protein ensemble database is great resource for the molecular simulation/ensemble calculation community and we're thrilled to contribute to it! 

First manuscript of the Robustelli Lab on bioRxiv!

Jiaqi's first paper (and the group's first manuscript!) is out on bioRxiv now: 

"Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States"

https://www.biorxiv.org/content/10.1101/2021.12.23.474012v1.abstract

All code and trajectories for this work can be found here:

https://github.com/paulrobustelli/AR_ligand_binding

You can read a summary of the work here

Robustelli Laboratory Awarded NIH R35 Award

Our laboratory was awarded a 5-year NIH R35 MIRA for our project "Characterizing the binding mechanisms of castration-resistant prostate cancer therapeutics to the intrinsically disordered N-terminal domain of the androgen receptor".  Jiaqi and Paul have been hard at work on this system since the lab opened its doors, and we are thrilled to receive this support!

Postdoctoral Scholar Positions Open!

We are seeking to recruit  postdoctoral scholars with experimental biophysics backgrounds to study interactions of intrinsically disordered proteins with small molecule drugs using molecular simulations and NMR spectroscopy.