PROJECT #17259 RESEARCH FOR PLASMEPSIN-II
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: 0xa8

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 04 December 2022 18:13:25

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 04 December 2022 18:13:25

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 17,585 422,040 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 RYZEN 5 3600 6-CORE 12 17,893 214,716 AMD
5 CORE I5-8500 CPU @ 3.00GHZ 6 26,880 161,280 Intel
6 CORE I5-6600K CPU @ 3.50GHZ 4 17,298 69,192 Intel
7 CORE I5-7400 CPU @ 3.00GHZ 4 16,591 66,364 Intel
8 CORE I5-4590 CPU @ 3.30GHZ 4 13,585 54,340 Intel
9 CORE I5-3570K CPU @ 3.40GHZ 4 8,357 33,428 Intel
10 XEON CPU E3-1240 V2 @ 3.40GHZ 8 3,399 27,192 Intel
11 CORE2 DUO CPU P7350 @ 2.00GHZ 2 1,626 3,252 Intel