Folding project #17803, CANCER research

Research section Research projects and references

Project #17803 overview

Project Summary AI Beta

This project looks at BCL-XL, a protein linked to lymphoma, as a drug target. Researchers are trying to predict the 3D shapes of this protein using computer models. One method they're testing is called adaptive sampling, which helps the model learn faster. Another method, without adaptive sampling, acts as a comparison point.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Rafal Wiewiora
Institution: Memorial Sloan Kettering Cancer Center
Website: Open project site

Work unit

Atoms: 22,500
Core: OPENMM_22
Status: Public

No related projects listed.

Source material

Official Project Description

BCL-XL apoptotic protein --- a drug target in lymphoma. Together with projects 17800-02 this is also testing new methodology --- adaptive sampling. This project attempts the hardest version of the problem --- prediction of all 35 crystal structures from just one of them (apo), with no adaptive sampling (in a 'vanilla' way, for comparison to the adaptive sampling algorithms).

Reading reference

Related Terms Glossary AI Beta

Automated high-level definitions; simplified and may not be fully accurate.

BCL-XL

B-cell lymphoma-extra large protein

Technical: PharmaceuticalBiotechnology / Drug Discovery

BCL-XL is a protein that plays a role in preventing programmed cell death (apoptosis) in cells. It is often overexpressed in cancer cells, making it a target for drug development in various cancers, including lymphoma.

apoptotic protein

A protein involved in the process of programmed cell death (apoptosis).

Scientific: PharmaceuticalMedicine / Oncology

Apoptotic proteins are crucial for regulating cell death. They participate in a complex cascade of events that lead to the dismantling and removal of damaged or unwanted cells. Dysregulation of apoptosis can contribute to various diseases, including cancer.

lymphoma

A type of cancer that affects the lymphatic system.

Medical: PharmaceuticalMedicine / Oncology

Lymphoma is a group of cancers that develop in the lymphatic system, which plays a vital role in immune function. It can affect lymph nodes, spleen, bone marrow, and other tissues. Treatment options depend on the specific type and stage of lymphoma.

drug target

A molecule or biological pathway that is a potential therapeutic target for drug development.

Technical: PharmaceuticalBiotechnology / Drug Discovery

Drug targets are essential components in the process of developing new medications. They represent specific molecules or processes involved in disease pathways that can be modulated by drugs to achieve therapeutic effects.

crystal structures

The three-dimensional arrangement of atoms in a molecule.

Scientific: Pharmaceutical, AcademiaBiotechnology / Structural Biology

Crystal structures provide insights into the shape and organization of molecules, including proteins and small drug compounds. This information is crucial for understanding how molecules interact with each other and for designing new drugs.

GPU PPD Averages

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 3090 GA102 [GeForce RTX 3090]	Nvidia	GA102	2,833,885	88,559	32.00	0 ^hrs 45 ^mins
2	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,443,147	84,831	28.80	0 ^hrs 50 ^mins
3	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	2,306,278	82,748	27.87	0 ^hrs 52 ^mins
4	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,304,883	82,323	28.00	0 ^hrs 51 ^mins
5	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,116,900	80,853	26.18	0 ^hrs 55 ^mins
6	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,076,567	79,447	26.14	0 ^hrs 55 ^mins
7	Tesla P40 GP102GL [Tesla P40] 11760	Nvidia	GP102GL	1,889,355	76,966	24.55	0 ^hrs 59 ^mins
8	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,829,834	76,215	24.01	0 ^hrs 60 ^mins
9	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,724,766	74,841	23.05	1 ^hrs 2 ^mins
10	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,658,683	73,337	22.62	1 ^hrs 4 ^mins
11	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,617,236	72,974	22.16	1 ^hrs 5 ^mins
12	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,609,813	70,635	22.79	1 ^hrs 3 ^mins
13	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,564,167	71,194	21.97	1 ^hrs 6 ^mins
14	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,460,477	70,970	20.58	1 ^hrs 10 ^mins
15	GeForce GTX 1660 Mobile TU116M [GeForce GTX 1660 Mobile]	Nvidia	TU116M	1,321,111	68,808	19.20	1 ^hrs 15 ^mins
16	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,280,171	67,038	19.10	1 ^hrs 15 ^mins
17	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,262,900	67,472	18.72	1 ^hrs 17 ^mins
18	Quadro P5000 GP104GL [Quadro P5000]	Nvidia	GP104GL	1,232,872	66,351	18.58	1 ^hrs 17 ^mins
19	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608	Nvidia	TU106M	1,203,501	67,481	17.83	1 ^hrs 21 ^mins

20	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,133,445	65,029	17.43	1 ^hrs 23 ^mins
21	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,133,100	64,708	17.51	1 ^hrs 22 ^mins
22	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,068,314	63,186	16.91	1 ^hrs 25 ^mins
23	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,019,209	61,918	16.46	1 ^hrs 27 ^mins
24	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	995,731	62,612	15.90	1 ^hrs 31 ^mins
25	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	992,323	59,625	16.64	1 ^hrs 27 ^mins
26	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	925,325	60,832	15.21	1 ^hrs 35 ^mins
27	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	830,407	50,673	16.39	1 ^hrs 28 ^mins
28	Tesla P4 GP104GL [Tesla P4] 5704	Nvidia	GP104GL	826,727	58,391	14.16	1 ^hrs 42 ^mins
29	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	711,661	55,653	12.79	1 ^hrs 53 ^mins
30	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	707,582	55,573	12.73	1 ^hrs 53 ^mins
31	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	685,427	55,264	12.40	1 ^hrs 56 ^mins
32	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	656,474	54,083	12.14	1 ^hrs 59 ^mins
33	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	640,022	54,076	11.84	2 ^hrs 2 ^mins
34	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	632,999	53,727	11.78	2 ^hrs 2 ^mins
35	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	594,123	52,295	11.36	2 ^hrs 7 ^mins
36	GeForce GTX 1650 TU117 [GeForce GTX 1650] 3091	Nvidia	TU117	568,779	50,606	11.24	2 ^hrs 8 ^mins
37	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	516,699	50,055	10.32	2 ^hrs 19 ^mins
38	GeForce GTX 1650 TU117 [GeForce GTX 1650]	Nvidia	TU117	495,453	48,449	10.23	2 ^hrs 21 ^mins
39	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	478,757	49,233	9.72	2 ^hrs 28 ^mins

40	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	472,188	47,700	9.90	2 ^hrs 25 ^mins
41	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	423,956	46,114	9.19	2 ^hrs 37 ^mins
42	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	359,781	44,731	8.04	2 ^hrs 59 ^mins
43	T600 TU117GL [T600]	Nvidia	TU117GL	308,813	42,222	7.31	3 ^hrs 17 ^mins
44	P104-100 GP104 [P104-100]	Nvidia	GP104	298,309	41,789	7.14	3 ^hrs 22 ^mins
45	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	285,927	41,374	6.91	3 ^hrs 28 ^mins
46	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	283,652	41,160	6.89	3 ^hrs 29 ^mins
47	P106-090 GP106 [P106-090]	Nvidia	GP106	283,648	41,056	6.91	3 ^hrs 28 ^mins
48	Quadro M4000 GM204GL [Quadro M4000]	Nvidia	GM204GL	261,057	40,133	6.50	3 ^hrs 41 ^mins
49	P106-100 GP106 [P106-100]	Nvidia	GP106	248,224	39,427	6.30	3 ^hrs 49 ^mins
50	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	241,102	39,039	6.18	3 ^hrs 53 ^mins
51	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	231,572	38,255	6.05	3 ^hrs 58 ^mins
52	Quadro M2200 GM206 [Quadro M2200]	Nvidia	GM206	204,565	37,172	5.50	4 ^hrs 22 ^mins
53	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	186,182	33,347	5.58	4 ^hrs 18 ^mins
54	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	165,750	33,890	4.89	4 ^hrs 54 ^mins
55	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	136,625	32,166	4.25	5 ^hrs 39 ^mins
56	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	136,350	31,911	4.27	5 ^hrs 37 ^mins
57	GeForce GTX 750 GM107 [GeForce GTX 750] 1111	Nvidia	GM107	122,486	31,189	3.93	6 ^hrs 7 ^mins
58	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	122,341	30,684	3.99	6 ^hrs 1 ^mins
59	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	119,210	30,122	3.96	6 ^hrs 4 ^mins

60	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	114,536	30,356	3.77	6 ^hrs 22 ^mins
61	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	112,859	29,404	3.84	6 ^hrs 15 ^mins
62	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	106,738	29,753	3.59	6 ^hrs 41 ^mins
63	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	102,434	28,913	3.54	6 ^hrs 46 ^mins
64	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	100,949	28,099	3.59	6 ^hrs 41 ^mins
65	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	86,236	27,747	3.11	7 ^hrs 43 ^mins
66	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	61,695	24,411	2.53	9 ^hrs 30 ^mins
67	GeForce 940M GM108 [GeForce 940M]	Nvidia	GM108	42,760	21,248	2.01	11 ^hrs 56 ^mins
68	GeForce 940MX GM108M [GeForce 940MX]	Nvidia	GM108M	42,335	21,700	1.95	12 ^hrs 18 ^mins
69	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	33,833	20,221	1.67	14 ^hrs 21 ^mins
70	GeForce GTX 670M GF114 [GeForce GTX 670M]	Nvidia	GF114	16,123	15,334	1.05	22 ^hrs 50 ^mins
71	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	11,813	12,940	0.91	26 ^hrs 17 ^mins

Research: CANCER Folding Project #17803

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17803

GPU PPD Averages

Research: CANCER Folding Project #17803

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages