PROJECT #18430 RESEARCH FOR BENCHMARK
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects are simulations of so-called "host-guest" interactions, designed to test our ability to accurately predict the free energy of ligand binding.   The "host" in this particular system is a barrel-shaped pillarene with acidic functional groups, while the "guests" are cationic small molecules that like to bind inside the barrel.  Benchmarks like these are essential to continue advancing computational drug discovery efforts.

PROJECT INFO

Manager(s): Prof. Vincent Voelz

Institution: Temple University

PROJECT WORK UNIT SUMMARY

Atoms: 6,650

Core: GRO_A8

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:07

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 Friday, 03 December 2021 04:36:07

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make
1 RYZEN 7 3700X 8-CORE 16 12,501 200,016 AMD
2 CORE I7-7700 CPU @ 3.60GHZ 8 14,350 114,800 Intel
3 RYZEN 5 2600 SIX-CORE 12 6,135 73,620 AMD
4 CORE I5-3570K CPU @ 3.40GHZ 4 4,668 18,672 Intel