I am feeling the same way that esoteric17 does. This update is very encouraging.

Thanks!

thanks for the information.

Hello ShadowBob,

I will send your request to Dr. Garrett Morris today. Updating that webpage is normally something that Garrett does, but I should learn how to do it, too. However, I am going to be very busy for the next couple weeks, while I work on finishing a grant application to the NIH/NIAID. I'm applying for a postdoctoral fellowship (i.e., for a Ruth L. Kirschstein National Research Service Award from the NIH = an NIH NRSA). After I am done with this application, if Dr. Morris has not had the time to update the graphics on fightaidsathome.scripps.edu, then I will figure out how to update those pie charts.

In general, I focus on keeping this forum updated first, before I worry about our webpage.

For a textual update:
75% of the docking calculations for Experiment 11 have been completed. After all of the calculations have been completed for that experiment, I will then need to process the results. And then I can finally analyze and interpret the processed results. Experiment 11 is the first, official, virtual High Throughput Screen ever performed with the Relaxed Complex method (as far as I am aware). The NCI Diversity Set of ~ 2,000 compounds was AutoDocked against the active site of 500 different conformations from the first 5 nanoseconds of a Molecular Dynamics simulation on a wild type HIV protease. Although this screen is being performed against a wild type ensemble of conformations, the hits that we find and modify, extend, and combine will then be evaluated against ensembles of conformations from multi-drug-resistant mutants of HIV protease. I chose this protocol for two main reasons. 1) I want to compare these results to experimental activity assays performed with this NCI Diversity Set against a wild type HIV protease system (i.e., to compare the docking calculations to actual measurements of the inhibitory activity of these compounds, as measured in test tubes, which should help me test and refine a few aspects of these computational methods). 2) I want to develop inhibitors that should work against both wild type and multi-drug-resistant strains.