Folding project #17804, CANCER research

Research section Research projects and references

Project #17804 overview

Project Summary AI Beta

This project studies BAX, a protein involved in cell death (apoptosis), which is a potential target for lymphoma treatment. BAX changes shape dramatically when activated, making it a challenging target to study. Unlike a previous project that used special sampling techniques, this one takes a simpler approach.

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: 80,000
Core: OPENMM_22
Status: Public

No related projects listed.

Source material

Official Project Description

BAX apoptotic protein --- a drug target in lymphoma. This is a homologous (i.e shares some structures) protein to BCL in projects 17800-03 --- as in there, I am testing adaptive sampling strategies --- this project is 'vanilla' (i.e.

no adaptive algorithm) and the problem here is probably much harder than in the previous project, this particular protein experiences 'activation' which is a massive structural change, a long tail unbinds and extends away from the protein.

Reading reference

Related Terms Glossary AI Beta

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

BAX

Bcl-2 Associated X Protein

Technical: BiopharmaceuticalsBiotechnology / Molecular Biology

BAX is a protein involved in apoptosis, the process of programmed cell death. It plays a crucial role in regulating cell survival and death, often acting as a trigger for apoptosis.

apoptotic protein

A protein that participates in the process of apoptosis.

Scientific: BiopharmaceuticalsBiotechnology / Cellular Biology

Apoptotic proteins are a group of molecules that control and execute the programmed death of cells. This process is essential for normal development and tissue homeostasis, eliminating damaged or unwanted cells.

lymphoma

A type of cancer that affects the lymphatic system.

Medical: BiopharmaceuticalsHealthcare / Oncology

Lymphoma is a cancer characterized by the uncontrolled growth and spread of lymphocytes, white blood cells responsible for fighting infections. It can affect various parts of the lymphatic system, including lymph nodes, spleen, and bone marrow.

drug target

A molecule or biological process that is targeted by a drug to achieve a therapeutic effect.

Pharmaceutical: BiopharmaceuticalsBiotechnology / Drug Discovery

Drug targets are specific molecules within the body that drugs aim to interact with. By modulating these targets, drugs can alter cellular processes and treat diseases.

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	5,459,316	229,758	23.76	1 ^hrs 1 ^mins
2	TITAN V GV100 [TITAN V] M 12288	Nvidia	GV100	5,212,754	230,288	22.64	1 ^hrs 4 ^mins
3	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	5,151,432	226,075	22.79	1 ^hrs 3 ^mins
4	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	4,938,688	221,976	22.25	1 ^hrs 5 ^mins
5	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	4,564,332	218,609	20.88	1 ^hrs 9 ^mins
6	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,820,654	206,422	18.51	1 ^hrs 18 ^mins
7	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	3,752,288	205,705	18.24	1 ^hrs 19 ^mins
8	RTX A6000 GA102GL [RTX A6000]	Nvidia	GA102GL	3,745,118	205,432	18.23	1 ^hrs 19 ^mins
9	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,643,761	203,887	17.87	1 ^hrs 21 ^mins
10	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,578,628	201,694	17.74	1 ^hrs 21 ^mins
11	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,033,346	191,664	15.83	1 ^hrs 31 ^mins
12	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,860,032	185,056	15.45	1 ^hrs 33 ^mins
13	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	2,667,171	182,425	14.62	1 ^hrs 38 ^mins
14	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,588,162	181,103	14.29	1 ^hrs 41 ^mins
15	Tesla P100 16GB GP100GL [Tesla P100 16GB] 9340	Nvidia	GP100GL	2,581,274	182,060	14.18	1 ^hrs 42 ^mins
16	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,382,161	177,104	13.45	1 ^hrs 47 ^mins
17	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,361,003	175,516	13.45	1 ^hrs 47 ^mins
18	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,337,254	171,964	13.59	1 ^hrs 46 ^mins
19	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,272,197	173,981	13.06	1 ^hrs 50 ^mins

20	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,261,242	173,571	13.03	1 ^hrs 51 ^mins
21	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,246,462	172,521	13.02	1 ^hrs 51 ^mins
22	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,136,390	169,811	12.58	1 ^hrs 54 ^mins
23	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,129,466	170,309	12.50	1 ^hrs 55 ^mins
24	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	2,100,847	169,110	12.42	1 ^hrs 56 ^mins
25	GeForce RTX 3070 Mobile / Max-Q GA104M [GeForce RTX 3070 Mobile / Max-Q]	Nvidia	GA104M	1,973,139	165,790	11.90	2 ^hrs 1 ^mins
26	RTX A4000 GA104GL [RTX A4000]	Nvidia	GA104GL	1,961,331	165,886	11.82	2 ^hrs 2 ^mins
27	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,901,884	164,262	11.58	2 ^hrs 4 ^mins
28	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,743,984	159,333	10.95	2 ^hrs 12 ^mins
29	TITAN X GP102 [TITAN X] 6144	Nvidia	GP102	1,612,477	154,655	10.43	2 ^hrs 18 ^mins
30	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,559,576	150,518	10.36	2 ^hrs 19 ^mins
31	GeForce RTX 3060 GA104 [GeForce RTX 3060]	Nvidia	GA104	1,527,995	152,725	10.00	2 ^hrs 24 ^mins
32	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,482,626	146,158	10.14	2 ^hrs 22 ^mins
33	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,479,194	150,051	9.86	2 ^hrs 26 ^mins
34	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,467,352	149,749	9.80	2 ^hrs 27 ^mins
35	Tesla P40 GP102GL [Tesla P40] 11760	Nvidia	GP102GL	1,439,710	148,097	9.72	2 ^hrs 28 ^mins
36	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,427,963	148,475	9.62	2 ^hrs 30 ^mins
37	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,415,179	148,320	9.54	2 ^hrs 31 ^mins
38	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608	Nvidia	TU106M	1,203,265	141,025	8.53	2 ^hrs 49 ^mins
39	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,185,078	140,077	8.46	2 ^hrs 50 ^mins

40	Quadro P5000 GP104GL [Quadro P5000]	Nvidia	GP104GL	1,154,705	134,674	8.57	2 ^hrs 48 ^mins
41	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,083,676	136,108	7.96	3 ^hrs 1 ^mins
42	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,063,865	134,373	7.92	3 ^hrs 2 ^mins
43	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,056,341	134,804	7.84	3 ^hrs 4 ^mins
44	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,038,983	129,071	8.05	2 ^hrs 59 ^mins
45	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,023,320	132,612	7.72	3 ^hrs 7 ^mins
46	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	999,710	132,434	7.55	3 ^hrs 11 ^mins
47	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	955,818	123,528	7.74	3 ^hrs 6 ^mins
48	GeForce GTX 1660 Mobile TU116M [GeForce GTX 1660 Mobile]	Nvidia	TU116M	950,980	130,331	7.30	3 ^hrs 17 ^mins
49	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	912,962	128,657	7.10	3 ^hrs 23 ^mins
50	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	879,578	127,663	6.89	3 ^hrs 29 ^mins
51	Quadro P4000 GP104GL [Quadro P4000]	Nvidia	GP104GL	814,404	121,121	6.72	3 ^hrs 34 ^mins
52	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	762,433	120,166	6.34	3 ^hrs 47 ^mins
53	GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile]	Nvidia	GA107M	745,127	118,598	6.28	3 ^hrs 49 ^mins
54	RTX A2000 Mobile GA107GLM [RTX A2000 Mobile]	Nvidia	GA107GLM	744,622	120,682	6.17	3 ^hrs 53 ^mins
55	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	687,489	116,964	5.88	4 ^hrs 5 ^mins
56	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	675,583	114,124	5.92	4 ^hrs 3 ^mins
57	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	661,382	114,929	5.75	4 ^hrs 10 ^mins
58	Tesla P4 GP104GL [Tesla P4] 5704	Nvidia	GP104GL	628,908	113,409	5.55	4 ^hrs 20 ^mins
59	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	564,829	109,188	5.17	4 ^hrs 38 ^mins

60	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	556,617	109,036	5.10	4 ^hrs 42 ^mins
61	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	553,306	108,813	5.08	4 ^hrs 43 ^mins
62	GeForce GTX 1650 Ti Mobile TU117M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU117M	550,964	107,759	5.11	4 ^hrs 42 ^mins
63	Quadro T1200 Mobile TU117GLM [Quadro T1200 Mobile]	Nvidia	TU117GLM	534,959	107,829	4.96	4 ^hrs 50 ^mins
64	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	515,907	104,576	4.93	4 ^hrs 52 ^mins
65	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	468,400	98,928	4.73	5 ^hrs 4 ^mins
66	GeForce GTX 1650 TU117 [GeForce GTX 1650] 3091	Nvidia	TU117	444,830	98,575	4.51	5 ^hrs 19 ^mins
67	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	422,917	99,466	4.25	5 ^hrs 39 ^mins
68	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	402,058	97,452	4.13	5 ^hrs 49 ^mins
69	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	376,056	94,830	3.97	6 ^hrs 3 ^mins
70	GeForce GTX 1650 TU117 [GeForce GTX 1650]	Nvidia	TU117	375,834	93,589	4.02	5 ^hrs 59 ^mins
71	Tesla K20C GK110 [Tesla K20C] 3524	Nvidia	GK110	365,047	93,966	3.88	6 ^hrs 11 ^mins
72	P104-100 GP104 [P104-100]	Nvidia	GP104	359,978	94,317	3.82	6 ^hrs 17 ^mins
73	GeForce GTX 980M GM204 [GeForce GTX 980M] 3189	Nvidia	GM204	350,094	92,807	3.77	6 ^hrs 22 ^mins
74	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	342,590	92,946	3.69	6 ^hrs 31 ^mins
75	Tesla K20M GK110 [Tesla K20M] 3524	Nvidia	GK110	339,705	92,946	3.65	6 ^hrs 34 ^mins
76	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	325,346	90,168	3.61	6 ^hrs 39 ^mins
77	P106-100 GP106 [P106-100]	Nvidia	GP106	278,152	86,582	3.21	7 ^hrs 28 ^mins
78	Quadro M4000 GM204GL [Quadro M4000]	Nvidia	GM204GL	266,457	85,658	3.11	7 ^hrs 43 ^mins
79	T600 TU117GL [T600]	Nvidia	TU117GL	266,231	83,596	3.18	7 ^hrs 32 ^mins

80	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	265,068	85,020	3.12	7 ^hrs 42 ^mins
81	P106-090 GP106 [P106-090]	Nvidia	GP106	260,289	84,561	3.08	7 ^hrs 48 ^mins
82	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	252,533	83,778	3.01	7 ^hrs 58 ^mins
83	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	244,957	81,617	3.00	7 ^hrs 60 ^mins
84	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	215,762	78,774	2.74	8 ^hrs 46 ^mins
85	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	200,509	77,076	2.60	9 ^hrs 14 ^mins
86	GeForce GTX 670/GTX 760Ti OEM GK104 [GeForce GTX 670/GTX 760Ti OEM] 2634	Nvidia	GK104	195,734	77,390	2.53	9 ^hrs 29 ^mins
87	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	183,815	73,060	2.52	9 ^hrs 32 ^mins
88	Quadro K4200 GK104 [Quadro K4200]	Nvidia	GK104	159,577	72,195	2.21	10 ^hrs 51 ^mins
89	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	156,111	64,414	2.42	9 ^hrs 54 ^mins
90	Quadro K5000 GK104 [Quadro K5000]	Nvidia	GK104	135,799	68,455	1.98	12 ^hrs 6 ^mins
91	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	135,607	66,565	2.04	11 ^hrs 47 ^mins
92	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	134,111	67,664	1.98	12 ^hrs 7 ^mins
93	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	127,642	65,984	1.93	12 ^hrs 24 ^mins
94	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	126,864	66,583	1.91	12 ^hrs 36 ^mins
95	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	120,680	65,026	1.86	12 ^hrs 56 ^mins
96	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	117,640	64,625	1.82	13 ^hrs 11 ^mins
97	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	107,433	63,056	1.70	14 ^hrs 5 ^mins
98	GeForce GTX 660 GK106 [GeForce GTX 660]	Nvidia	GK106	106,911	62,654	1.71	14 ^hrs 4 ^mins
99	Quadro M2000 GM206GL [Quadro M2000]	Nvidia	GM206GL	103,397	62,206	1.66	14 ^hrs 26 ^mins

100	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	102,315	55,453	1.85	13 ^hrs 0 ^mins
101	GRID M40 GM107GL [GRID M40]	Nvidia	GM107GL	91,455	59,848	1.53	15 ^hrs 42 ^mins
102	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	90,368	55,557	1.63	14 ^hrs 45 ^mins
103	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	87,623	54,859	1.60	15 ^hrs 2 ^mins
104	GeForce GTX 750 GM107 [GeForce GTX 750] 1111	Nvidia	GM107	85,876	58,536	1.47	16 ^hrs 22 ^mins
105	Quadro K4000 GK104 [Quadro K4000]	Nvidia	GK104	76,990	56,584	1.36	17 ^hrs 38 ^mins
106	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	75,736	56,088	1.35	17 ^hrs 46 ^mins
107	NVS 310 GF119 [NVS 310] 100	Nvidia	GF119	67,277	50,219	1.34	17 ^hrs 55 ^mins
108	GeForce GTX 570 HD GF110 [GeForce GTX 570 HD] 1405	Nvidia	GF110	63,413	53,028	1.20	20 ^hrs 4 ^mins
109	GeForce GTX 950M GM107 [GeForce GTX 950M] 1439	Nvidia	GM107	58,071	46,531	1.25	19 ^hrs 14 ^mins
110	GeForce 940MX GM107 [GeForce 940MX]	Nvidia	GM107	51,144	49,151	1.04	23 ^hrs 4 ^mins
111	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	47,230	46,008	1.03	23 ^hrs 23 ^mins
112	GeForce 940MX GM108M [GeForce 940MX]	Nvidia	GM108M	35,880	39,700	0.90	26 ^hrs 33 ^mins
113	Quadro P400 GP107GL [Quadro P400] 641	Nvidia	GP107GL	35,705	39,700	0.90	26 ^hrs 41 ^mins
114	GeForce GT 840M GM108 [GeForce GT 840M]	Nvidia	GM108	35,073	39,700	0.88	27 ^hrs 10 ^mins
115	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	32,374	39,700	0.82	29 ^hrs 26 ^mins
116	GeForce GTX 560 GF114 [GeForce GTX 560]	Nvidia	GF114	32,319	39,700	0.81	29 ^hrs 29 ^mins
117	Quadro P500 Mobile GP108GLM [Quadro P500 Mobile]	Nvidia	GP108GLM	30,540	40,408	0.76	31 ^hrs 45 ^mins
118	GeForce 940M GM108 [GeForce 940M]	Nvidia	GM108	29,628	39,700	0.75	32 ^hrs 10 ^mins
119	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	26,617	39,710	0.67	35 ^hrs 48 ^mins

120	GeForce GTX 670M GF114 [GeForce GTX 670M]	Nvidia	GF114	22,127	39,700	0.56	43 ^hrs 4 ^mins
121	GRID K340 GK107 [GRID K340]	Nvidia	GK107	17,180	39,700	0.43	55 ^hrs 28 ^mins
122	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	14,040	39,700	0.35	67 ^hrs 52 ^mins
123	Quadro NVS 510 GK107 [Quadro NVS 510]	Nvidia	GK107	12,337	39,700	0.31	77 ^hrs 14 ^mins

Research: CANCER Folding Project #17804

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17804

GPU PPD Averages

Research: CANCER Folding Project #17804

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages