PROJECT #17259 RESEARCH FOR UNSPECIFIED
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
Identification of drug binding pockets is crucial for drug discovery research.
Drug binding pockets often remain hidden in the experimentally determined structures.
Protein dynamics can reveal protein confomrations that expose such drug binding pockets in some of the high-energy states that remain unidentified by experimental techniques.
Here, we combine the power of alpha-fold and molecular dynamics simulations to generate an ensemble of protein conformations to find drug binding pockets in plasmepsin-II protein from Plasmodium falciparum that degrades host haemoglobin.
PROJECT INFO
Manager(s): Neha Vithani
Institution: Washington University in St. Louis
PROJECT WORK UNIT SUMMARY
Atoms: 40,647
Core: GRO_A8
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Monday, 27 June 2022 11:45:23
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
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PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Monday, 27 June 2022 11:45:23
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|---|---|---|---|---|
1 | RYZEN 9 3900XT 12-CORE | 24 | 17,642 | 423,408 | AMD |
2 | 12TH GEN CORE I9-12900K | 24 | 16,085 | 386,040 | Intel |
3 | RYZEN 7 3700X 8-CORE | 16 | 18,769 | 300,304 | AMD |
4 | CORE I5-8500 CPU @ 3.00GHZ | 6 | 26,880 | 161,280 | Intel |
5 | CORE I5-6600K CPU @ 3.50GHZ | 4 | 17,298 | 69,192 | Intel |
6 | CORE I5-7400 CPU @ 3.00GHZ | 4 | 16,365 | 65,460 | Intel |
7 | CORE I5-4590 CPU @ 3.30GHZ | 4 | 14,914 | 59,656 | Intel |
8 | CORE2 DUO CPU P7350 @ 2.00GHZ | 2 | 1,626 | 3,252 | Intel |
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