Interested in developing and applying new methods relating to binding free energy calculations, and in advancing predictive modeling relating to pharmaceutical drug discovery? I seek a postdoctoral candidate who will focus on methods for and applications of free energy calculations and structure-based design methods in early stage drug discovery projects. Additionally, the candidate will likely get involved with the SAMPL series of blind challenges, helping to drive progress in the field by facilitating comparisons of the latest methods on cutting-edge datasets in blind challenges we help design. [More…]
There’s lots of great news since my last update in April.
Lab news and events:
- New graduate student Hannah Baumann recently joined the lab, coming to us from Germany after an internship at Merck Group doing free energy calculations. She’s probably done more such calculations than anyone in the lab!
- Rotation students Martin Amezcua, Oanh Tran, Chris Zhang and Ellie Frank are spending time in the lab this quarter
- Caitlin Bannan received an NSF MolSSI Phase II Fellowship for her work on direct chemical perception with the Open Force Field Initiative
- Nathan Lim was awarded an NSF MolSSI Phase I Fellowship for his work on our BLUES software package.
We’re very excited about the Open Force Field Initiative, a new effort to help build better force fields and improve the infrastructure for developing them. And we’re especially excited that a pharmaceutical industry consortium has come together to help fund and guide this work. Check out our announcement for more details!
The Open Force Field Consortium (OpenFF, openforcefield.org) and XtalPi, Inc. (xtalpi.com) seeks a Distinguished Postdoctoral Fellow to perform cutting-edge research in a unique academic-industrial joint effort.
OpenFF is an academic collaboration (based at UC Irvine / UC Davis / UC San Diego / Univ. Colorado Boulder / Sloan Kettering Institute in New York) that seeks to develop next-generation molecular mechanics force fields and associated parameterization software and data infrastructure. [More…]
I’m behind on updates,but there’s a lot of great news recently! Here are some highlights.
Lab news and events:
First year graduate students Danielle Bergazin, Jessica Maat and Noora Siddiqui recently joined the lab. This is in addition to a rotation by Daniel Seith.