PROJECT #18116 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

18110/5: simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand in the known binding position, exploring the binding dynamics of the complex and binding poses.

 

18111/6: binding simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand 35A away from the protein center, exploring if the correct binding pose will be observed through the simulation.

 

18112-18114: binding simulation for the complex of KRas(G12D)-GDP-peptide, the binding pocket and binding pose is unknown. We start with 100 randomly sampled initial structures, in each structure, the ligand center is 40A away from the protein center, with random direction and rotation. The simulation is aimed to identify potential binding pocket and binding poses of the peptide. The interactions between KRas protein and the peptide would provide insights in designing small molecules that bind with KRas.

 

This is a project run by Roivant Sciences (formerly Silicon Therapeutics) as was officially announced in this press release: https://foldingathome.org/2021/04/20/maximizing-the-impact-of-foldinghome-by-engaging-industry-collaborators/

All data is being made publicly available in real time at https://console.cloud.google.com/storage/browser/stxfah-bucket

PROJECT INFO

Manager(s): Rafal Wiewiora

Institution: Roivant Sciences (Silicon Therapeutics)

Project URL: roivant.com

PROJECT WORK UNIT SUMMARY

Atoms: 52,212

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:08

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,047,197 321,432 15.70 2 hrs 32 mins
2 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,980,115 317,464 15.69 2 hrs 32 mins
3 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 4,700,042 310,227 15.15 2 hrs 35 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,709,021 290,616 12.76 2 hrs 53 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,144,300 274,993 11.43 2 hrs 6 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,133,127 275,699 11.36 2 hrs 7 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,089,726 273,759 11.29 2 hrs 8 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,042,037 272,475 11.16 2 hrs 9 mins
9 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,012,135 259,899 11.59 2 hrs 4 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,600,914 258,403 10.07 2 hrs 23 mins
11 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 2,600,206 258,808 10.05 2 hrs 23 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,479,947 253,960 9.77 2 hrs 27 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,460,698 253,741 9.70 2 hrs 28 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,269,940 246,655 9.20 3 hrs 36 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,226,231 242,577 9.18 3 hrs 37 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,195,800 244,761 8.97 3 hrs 41 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,779,373 227,565 7.82 3 hrs 4 mins
18 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,730,618 225,974 7.66 3 hrs 8 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,668,200 222,750 7.49 3 hrs 12 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,354,111 207,770 6.52 4 hrs 41 mins
21 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,157,210 196,596 5.89 4 hrs 5 mins
22 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,083,945 193,512 5.60 4 hrs 17 mins
23 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 807,042 175,696 4.59 5 hrs 13 mins
24 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 744,821 171,173 4.35 6 hrs 31 mins
25 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 708,407 169,026 4.19 6 hrs 44 mins
26 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 620,313 160,611 3.86 6 hrs 13 mins
27 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 380,764 133,342 2.86 8 hrs 24 mins
28 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 228,030 115,063 1.98 12 hrs 7 mins
29 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 122,525 93,528 1.31 18 hrs 19 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:08

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make