Congrats to Voelz Lab student Si Zhang for her modeling and simulation contributions to this exciting new methodology developed by the Ross Wang Lab at… Read More »Hot off the press: a new peptide stapling method from the Wang lab
Students in the Voelz have been racking up a trophy case of departmental awards! Si Zhang received a Daniel Swern Research Fellowship Award, recognizing graduate… Read More »Award-winning students in the Voelz Lab
Congrats to graduate student Si Zhang on the publication of her first-author manuscript in JCTC! This work was a collaboration with David Hahn (Janssen Research)… Read More »Congrats to Si on new JCTC paper
In new paper, grad student Rob Raddi uses Deep Gaussian Processes to improve pKa predictions in the SAMPL7 challenge: https://rdcu.be/ctjkk https://doi.org/10.1007/s10822-021-00411-8… Nice work Rob!
Over the last few years, our lab has been working on a Bayesian inference method we call BICePs to reconcile simulations of conformational ensembles with… Read More »New review paper on BICePs
In new work published in Journal of Chemical Information and Modeling, Ge et al. use molecular simulation study the binding mechanism of four designed cyclic… Read More »Congrats to Yunhui and Si on new JCIM paper
Congrats to Yunhui on our new book chapter “Markov State Models to Elucidate Ligand Binding Mechanism”, now available in MIMB: Protein-Ligand Interactions and Drug Design,… Read More »New book chapter on MSMs of ligand binding
Congrats to Matt Hurley and the multi-disciplinary team of Temple researchers from the Schafmeister, Zdilla, and Baxter groups on this new manuscript describing Metal-Binding Q-Proline… Read More »Congrats to Matt on Q-Pro macrocycle paper
Folding@home has teamed up with Amazon Web Services’ (AWS) Disaster Response Program to publicly release all of our COVID-19 protein simulation data as an AWS Open Data… Read More »SARS-CoV-2 COVID Moonshot absolute free energy calculations generated on Folding@home now released as an AWS Open Data Set
Our lab has just been granted 192,500 node hours on the TACC Stampede2 (Dell/Intel Knights Landing, Skylake) supercomputer. This 6-month allocation (TG-MCB200214) will be a… Read More »Voelz Lab awarded XSEDE allocation