Folding project #18226, CANCER research

Research section Research projects and references

Project #18226 overview

Project Summary AI Beta

This project uses computer simulations to study Phosphoglycerate kinase (PGK), a protein vital for energy production in cells. The project looks at how PGK's shape changes when it binds to different molecules, like its products and building blocks. Understanding PGK is important because problems with this protein can cause diseases like anemia and cancer.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Justin Miller
Institution: University of Pennsylvania

Work unit

Atoms: 383,200
Core: 0x23
Status: Public

Source material

Official Project Description

In this project we simulate the protein Phosphoglycerate kinase (PGK), a vital component in cell metabolism (specifically glycolysis, the processing of sugar into ATP for the cell).

PGK catalyzes the conversion of 1,3 bisphosphoglycerate to 3-phosphoglycerate generating one molecule of ATP in the process.

While the biochemical activity of PGK has been long understoon, how this process is achieved from a structural perspective is less well known. PGK deficiencies lead to hemolytic anemia and myopathy, over-expression has been linked to a variety of cancers, and PGK can metabolize a variety of different drugs.

We hope that simulations of PGK will lead to a better understanding of how PGK completes these essential catalytic activities. Our experimental collaborators have identified major shifts in PGK conformations as a function of the ligands (small molecules) bound to PGK.

In 18224, we simulate PGK in the unbound state.

In 18225, we simulate PGK with one of it's products (ADP) bound.

In 18226, we simulate PGK with one of it's substrates (ATP) bound.

Reading reference

Related Terms Glossary AI Beta

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

Phosphoglycerate kinase

An enzyme that catalyzes the conversion of 1,3-bisphosphoglycerate to 3-phosphoglycerate in glycolysis.

Technical: BiotechnologyBiochemistry / Metabolism

Phosphoglycerate kinase (PGK) is an important enzyme involved in breaking down sugar molecules for energy production within cells. It plays a key role in glycolysis, a process that converts glucose into ATP, the cell's primary energy source. PGK catalyzes a specific step in this pathway, converting 1,3-bisphosphoglycerate to 3-phosphoglycerate while generating one molecule of ATP.

Glycolysis

The metabolic pathway that converts glucose into pyruvate.

Scientific: BiotechnologyBiochemistry / Metabolism

Glycolysis is the fundamental process by which cells break down glucose to release energy. It involves a series of chemical reactions that occur in the cytoplasm, converting one molecule of glucose into two molecules of pyruvate. This process generates a small amount of ATP, the cell's primary energy currency, and provides intermediates for other metabolic pathways.

ATP

Adenosine triphosphate

Technical: BiotechnologyBiochemistry / Energy Production

ATP (adenosine triphosphate) is the primary energy currency of cells. It's a molecule that stores and releases energy when its phosphate bonds are broken. ATP is essential for various cellular processes, including muscle contraction, nerve impulse transmission, protein synthesis, and active transport.

Hemolytic anemia

A condition characterized by the destruction of red blood cells.

Pathological: PharmaceuticalsMedicine / Blood Disorders

Hemolytic anemia is a medical condition where red blood cells are destroyed faster than the bone marrow can produce them. This can lead to a shortage of healthy red blood cells, resulting in symptoms such as fatigue, weakness, shortness of breath, and pale skin. Various factors can cause hemolytic anemia, including genetic disorders, infections, autoimmune diseases, and certain medications.

Myopathy

A disease or disorder that affects muscle tissue.

Pathological: PharmaceuticalsMedicine / Muscle Disorders

Myopathy is a broad term referring to any condition that causes weakness, pain, or other problems in the muscles. There are many different types of myopathies, caused by various factors such as genetic defects, infections, autoimmune disorders, and toxins. Symptoms can range from mild muscle soreness to severe muscle weakness, making it difficult to perform daily activities.

Cancer

A group of diseases characterized by uncontrolled cell growth.

Clinical: PharmaceuticalsMedicine / Oncology

Cancer is a complex group of diseases characterized by abnormal and uncontrolled cell growth. These cells can invade surrounding tissues and spread to other parts of the body (metastasis). There are many different types of cancer, each affecting specific organs or tissues. Treatment options vary depending on the type and stage of cancer.

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 4090 AD102 [GeForce RTX 4090]	Nvidia	AD102	29,678,532	1,478,995	20.07	1 ^hrs 12 ^mins
2	GeForce RTX 4080 AD103 [GeForce RTX 4080]	Nvidia	AD103	18,227,181	1,262,808	14.43	1 ^hrs 40 ^mins
3	GeForce RTX 4080 SUPER AD103 [GeForce RTX 4080 SUPER]	Nvidia	AD103	17,776,364	1,259,748	14.11	1 ^hrs 42 ^mins
4	GeForce RTX 4070 Ti AD104 [GeForce RTX 4070 Ti]	Nvidia	AD104	12,633,278	1,001,669	12.61	1 ^hrs 54 ^mins
5	GeForce RTX 4070 SUPER AD104 [GeForce RTX 4070 SUPER]	Nvidia	AD104	11,843,638	1,097,045	10.80	2 ^hrs 13 ^mins
6	GeForce RTX 3090 GA102 [GeForce RTX 3090]	Nvidia	GA102	10,825,060	1,065,137	10.16	2 ^hrs 22 ^mins
7	RTX A6000 GA102GL [RTX A6000]	Nvidia	GA102GL	10,072,310	175,000	57.56	0 ^hrs 25 ^mins
8	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	9,434,222	1,012,166	9.32	2 ^hrs 34 ^mins
9	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	8,331,953	974,830	8.55	2 ^hrs 48 ^mins
10	GeForce RTX 4070 AD104 [GeForce RTX 4070]	Nvidia	AD104	6,958,814	915,238	7.60	3 ^hrs 9 ^mins
11	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	6,173,378	885,416	6.97	3 ^hrs 27 ^mins
12	GeForce RTX 4060 Ti AD106 [GeForce RTX 4060 Ti]	Nvidia	AD106	5,836,039	882,428	6.61	3 ^hrs 38 ^mins
13	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	5,801,383	867,878	6.68	3 ^hrs 35 ^mins
14	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	5,654,702	846,765	6.68	3 ^hrs 36 ^mins
15	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	4,909,679	833,667	5.89	4 ^hrs 5 ^mins
16	Radeon RX 7900XT/XTX/GRE Navi 31 [Radeon RX 7900XT/XTX/GRE]	AMD	Navi 31	4,889,595	804,479	6.08	3 ^hrs 57 ^mins
17	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	4,670,410	808,477	5.78	4 ^hrs 9 ^mins
18	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	4,107,208	740,413	5.55	4 ^hrs 20 ^mins
19	GeForce RTX 4060 AD107 [GeForce RTX 4060]	Nvidia	AD107	4,081,426	175,000	23.32	1 ^hrs 2 ^mins

20	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	3,922,943	503,153	7.80	3 ^hrs 5 ^mins
21	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,847,461	640,775	4.44	5 ^hrs 24 ^mins
22	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	2,473,351	631,212	3.92	6 ^hrs 7 ^mins
23	Radeon RX 6800/6800XT/6900XT Navi 21 [Radeon RX 6800/6800XT/6900XT]	AMD	Navi 21	2,442,911	652,811	3.74	6 ^hrs 25 ^mins
24	Radeon RX 7700XT/7800XT Navi 32 [Radeon RX 7700XT/7800XT]	AMD	Navi 32	1,767,078	537,474	3.29	7 ^hrs 18 ^mins
25	RTX A2000 GA106 [RTX A2000]	Nvidia	GA106	1,489,857	557,710	2.67	8 ^hrs 59 ^mins
26	Radeon RX 6700/6700XT/6800M Navi 22 XT-XL [Radeon RX 6700/6700XT/6800M]	AMD	Navi 22 XT-XL	1,288,649	257,629	5.00	4 ^hrs 48 ^mins
27	Radeon RX 6600/6600 XT/6600M Navi 23 XT-XL [Radeon RX 6600/6600 XT/6600M]	AMD	Navi 23 XT-XL	843,978	175,000	4.82	4 ^hrs 59 ^mins
28	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	837,847	511,101	1.64	14 ^hrs 38 ^mins
29	RX 5600 OEM/5600XT/5700/5700XT Navi 10 [RX 5600 OEM/5600XT/5700/5700XT]	AMD	Navi 10	259,454	285,749	0.91	26 ^hrs 26 ^mins

Research: CANCER Folding Project #18226

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 18226

GPU PPD Averages

Research: CANCER Folding Project #18226

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages