We’ve been helping to run the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) series of blind challenges for some time now, but the initiative is still unfunded. I’m excited that our revised grant proposal for the future of SAMPL has just been submitted to the NIH! While I normally wouldn’t post grant proposals, SAMPL is really a community resource, fueled by the community, so here’s a link to our plan for SAMPL’s future. [More…] “Our SAMPL grant proposal revision is submitted”
Results of our SAMPL survey are out
We’re super excited about the Statistical Assessment of Modeling of Proteins and Ligand (SAMPL) series of blind challenges, and the potential these have for driving real advancements in modeling in our field. These challenges not only provide an opportunity for blind, prospective testing of our methods, but they also provide a crowdsourcing model to drive innovation. Such approaches have a well-documented history of spurring progress in specific areas, such as in the XPrize, the Netflix Prize, or, closer to our field, the DREAM challenges or CASP for protein structure prediction. [More…] “Results of our SAMPL survey are out”
SAMPL needs your input
We need your input on the future of the SAMPL series of blind challenges. Please use this SAMPL Google form to give us your thoughts on how helpful these challenges have been and on our plans for their future. Please also note that we need SAMPL testimonials.
– David L. Mobley [More…] “SAMPL needs your input”
SAMPL testimonials sought
For some time, we’ve been involved with running the SAMPL series of blind challenges focused on driving progress in modeling of physical properties and binding (see also the D3R page and our SAMPL NIH proposal) and recently, we’ve sought support from the NIH for this work. However, this is an unconventional type of proposal for the NIH, since the focus is on driving progress of other people’s methods. [More…] “SAMPL testimonials sought”
Winter 2016-2017 Highlights
Lab news and events:
Congratulations to graduate student Caitlin C. Bannan, who recently won the Penny J. Gilmer Grant for Women Graduate Students and Post-docs from OpenEye Scientific Software, AND the WCC Merck Research Award from the American Chemical Society!
We had about 20 middle school girls visit the lab on December 8 to learn about computational chemistry and intermolecular interactions as part of the Laboratory Experiments and Activities in the Physical Sciences (LEAPS) program at UCI, sponsored in part by our NSF CAREER award. [More…] “Winter 2016-2017 Highlights”