Folding project #17506, CANCER research

Research section Research projects and references

Project #17506 overview

Project Summary AI Beta

Five projects use computer simulations to study how the proteins AURKA and N-MYC interact. Some simulations include special molecules (ligands) to see their effect on protein binding. Projects 17505, 17506, 17507 simulate at room temperature, while project 17508 uses a higher temperature simulation.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Jiaye Guo
Institution: Chodera Lab // MSKCC

Work unit

Atoms: 50,046
Core: OPENMM_22
Status: Public

Source material

Official Project Description

Project 17505 is room-temperature vanilla simulation of an apo kinase AURKA : N-MYC complex to explore protein-protein interactions.
Project 17506 is room-temperature vanilla simulation of the kinase AURKA : N-MYC complex with ligand 1 bound to explore protein-protein interactions.
Project 17507 is room-temperature vanilla simulation of the kinase AURKA : N-MYC complex with ligand 2 bound to explore protein-protein interactions.
Project 17508 is high-temperature vanilla simulation of an apo kinase AURKA : N-MYC complex to explore protein-protein interactions.

Reading reference

Related Terms Glossary AI Beta

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

AURKA

A serine/threonine-specific protein kinase involved in cell cycle progression.

Technical: Pharmaceutical ResearchBiotechnology / Molecular Biology

AURKA is a crucial enzyme that controls how cells divide. It's like a switch that tells the cell when to start and finish copying its DNA before splitting into two new cells. Problems with AURKA can lead to uncontrolled cell growth, which is a hallmark of cancer.

N-MYC

A proto-oncogene that encodes a transcription factor involved in cell growth and proliferation.

Technical: Pharmaceutical ResearchBiotechnology / Oncology

N-MYC is a gene that helps control how cells grow and divide. When it's overactive, it can cause cells to multiply too quickly, leading to cancer. This type of cancer is often found in the nervous system and is called neuroblastoma.

Protein-protein interactions

The physical interactions between proteins that are essential for many cellular processes.

Scientific: Pharmaceutical ResearchBiotechnology / Molecular Biology

Proteins often work together to carry out important tasks in our bodies. Protein-protein interactions describe how these proteins connect and cooperate with each other. Understanding these interactions is crucial for developing new drugs and therapies.

Kinase

An enzyme that catalyzes the transfer of a phosphate group from a high-energy molecule to a protein or other molecule.

Technical: Pharmaceutical ResearchBiotechnology / Molecular Biology

Kinases are like tiny molecular switches that can turn proteins on or off by adding a phosphate group. This process is essential for many cellular processes, including cell growth, division, and signaling.

Ligand

A molecule that binds to a receptor or other target protein.

Technical: Pharmaceutical ResearchBiotechnology / Pharmacology

Ligands are like keys that fit into specific locks on proteins. When a ligand binds to its target protein, it can trigger a specific response in the cell.

Apo kinase

A kinase that does not have a bound ligand.

Technical: Pharmaceutical ResearchBiotechnology / Molecular Biology

Think of apo kinases as proteins without their key. They are inactive until they bind to a ligand, which is like inserting the key into the lock.

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 GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	603,379	53,583	11.26	2 ^hrs 8 ^mins
2	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	521,396	50,916	10.24	2 ^hrs 21 ^mins
3	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	486,928	49,845	9.77	2 ^hrs 27 ^mins
4	GeForce GTX 780 GK110 [GeForce GTX 780] 3977	Nvidia	GK110	350,023	44,609	7.85	3 ^hrs 4 ^mins
5	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	315,666	43,235	7.30	3 ^hrs 17 ^mins
6	Quadro P5000 GP104GL [Quadro P5000]	Nvidia	GP104GL	272,952	41,047	6.65	3 ^hrs 37 ^mins
7	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	266,508	40,746	6.54	3 ^hrs 40 ^mins
8	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	209,957	37,694	5.57	4 ^hrs 19 ^mins
9	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	200,226	37,107	5.40	4 ^hrs 27 ^mins
10	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	174,546	35,213	4.96	4 ^hrs 51 ^mins
11	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	133,569	32,326	4.13	5 ^hrs 49 ^mins
12	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	130,007	32,182	4.04	5 ^hrs 56 ^mins
13	GRID M40 GM107GL [GRID M40]	Nvidia	GM107GL	116,824	31,071	3.76	6 ^hrs 23 ^mins
14	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	115,495	30,905	3.74	6 ^hrs 25 ^mins
15	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	92,504	28,659	3.23	7 ^hrs 26 ^mins
16	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	77,768	26,956	2.88	8 ^hrs 19 ^mins
17	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	74,056	23,474	3.15	7 ^hrs 36 ^mins
18	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	69,543	26,159	2.66	9 ^hrs 2 ^mins
19	Quadro K4200 GK104 [Quadro K4200]	Nvidia	GK104	69,452	26,151	2.66	9 ^hrs 2 ^mins

20	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	51,577	23,214	2.22	10 ^hrs 48 ^mins
21	Quadro K4000 GK104 [Quadro K4000]	Nvidia	GK104	45,450	20,764	2.19	10 ^hrs 58 ^mins
22	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	28,925	19,535	1.48	16 ^hrs 13 ^mins
23	GeForce MX250 GP108M [GeForce MX250]	Nvidia	GP108M	26,454	12,690	2.08	11 ^hrs 31 ^mins
24	GeForce GT 640 GK107 [GeForce GT 640] 693	Nvidia	GK107	23,041	17,644	1.31	18 ^hrs 23 ^mins
25	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	17,720	16,486	1.07	22 ^hrs 20 ^mins
26	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	12,284	14,643	0.84	28 ^hrs 37 ^mins

Research: CANCER Folding Project #17506

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17506

GPU PPD Averages

Research: CANCER Folding Project #17506

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages