Interested in improving predictive modeling of biomolecular interactions? We seek a postdoc who will work on binding free energy methods and applications (likely including our BLUES method for enhanced sampling of ligand binding modes), as well as with the Open Force Field Initiative (OpenFF, openforcefield.org) on testing and improving biomolecular force fields, though this is not an OpenFF position. The candidate may also 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…]
We had a great last year with four graduate students joining the lab and four graduating! Welcome Hannah, Martin, Chris and Tran! Congratulations to Guilherme, Camilla, Caitlin and Nathan!
We’ve had a busy year, with lots of significant accomplishments and new directions, as well as several new Ph.D.’s!
- Camila Zanette finished her Ph.D. and went on to work in bioinformatics in the Irvine area.
- Caitlin Bannan finished her Ph.D. and went on to a position at OpenEye Scientific Software
- Guilherme Duarte Ramos Matos received his Ph.D. and is joining the Rizzo Lab at Stony Brook University for a postdoc position.
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!