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Folding@home ¿¡ °üÇÏ¿©
PANDE
±³¼ö
¿¬±¸½Ç , ½ºÅÄÆ÷µå ÈÇаú
.Pande groupÀÇ ¿¬±¸´Â
´Ü¹éÁú, RNA ¹× ±âŸ ÇÕ¼º °íºÐÀÚ ¹°ÁúÀÇ Á¢Èû Çö»óÀ» ÀÌ·ÐÀûÀ¸·Î ±Ô¸íÇÏ´Â
µ¥ ÃÐÁ¡À» ¸ÂÃß°í ÀÖ½À´Ï´Ù. À̸¦ À§ÇØ ensemble dynamics ¹æ¹ýÀ»
°³¹ßÇÏ¿´À¸¸ç,
Folding@home ÇÁ·ÎÁ§Æ®ÀÇ
Ŭ¶óÀÌ¾ðÆ® ¹× ¼¹ö ÇÁ·Î±×·¥À» ÀÛ¼ºÇÏ¿´½À´Ï´Ù
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Adam
L. Beberg
distributed computing
advisor, general client and server coding, OS X client
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À̽ÂÁÖ
RNA Á¢Èû, »þÆä·Ð¾È¿¡¼
´Ü¹éÁú Á¢Èû
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Lillian
Chong
Cytokine Design;
Oligomerization Simulation
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Tug
Sezen
Education
pages
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Jarrod
Chapman
0.9x client code,
MPI code
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ÀÌ¿µ¹Î
server code, REMD,
Alzheimer peptide analysis
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Chelsea
Hua
3.x development
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Michael
Shirts
ensemble dynamics
methodology, "STinker" MD code mods
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Guha
Jayachandran
2.x development,
3.x development, OS X core, Gromacs cores (all platforms),
web pages, Genome@Home 2.0
development
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Chris
Snow
analysis, server,
analysis code, backend db, stats system (db+ web), misc
web site
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Siraj
Khaliq
1.x development;
2.x architecture, development
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Eric
Sorin
RNA folding, beta
hairpin analysis
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Stefan
Larson
web infrastructure, Genome@Home
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Vishal
Vaidyanathan
Protein folding,
protein design
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Bojan
Zagrovic
beta hairpin & villin
folding analysis
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¿¬±¸ºñ
Áö¿ø
ÀúÈñ Folding@Gome ¿¬±¸¸¦ µµ¿ÍÁֽŠ¿©·¯ ȸ»ç¿Í ¿¬±¸ºñ ´Üüµé¿¡°Ô ½É½ÉÇÑ °¨»ç¸¦ Ç¥ÇÕ´Ï´Ù.
The implicit solvation(Tinker) °ü·Ã ¿¬±¸´Â NIH (R01GM62868-01A2)ÀÇ ¿¬±¸ºñ¸¦ ¹Þ¾Ò½À´Ï´Ù.
´Ù¸¥ force field °£ÀÇ ºñ±³¿¬±¸´Â ACS PRF (36028-AC4)ÀÇ Áö¿øÀ¸·Î °¡´ÉÇÕ´Ï´Ù.
°íµîÇб³ ÇнÀ ÀÚ·á ´Â NSF
MRSEC CPIMA (DMR-9808677)ÀÇ ¿¬±¸ºñ Áö¿øÀ¸·Î ¸¸µé¾îÁ³À¸¸ç, À̸¦ À§ÇØ Freedom °íµîÇб³ÀÇ Tug Sezen¼±»ý´ÔÀÌ ¿©¸§¹æÇÐ
µ¿¾È ÀúÈñ ¿¬±¸½Ç¿¡¼ Folding@HomeÀ» ÀÌ¿ëÇÑ °íµîÇб³ ±³À°¿ë ÀڷḦ ¸¸µå¼Ì½À´Ï´Ù.

±¸±Û °è»ê ÇÁ·Î±×·¥
À» ÅëÇÏ¿© ÀúÈñ¿¡°Ô µµ¿òÀ» Áֽб¸±Û(Google) °ü°èÀÚ ¿©·¯ºÐ²² °¨»çµå¸³´Ï´Ù.
ÀÎÅÚÀÇ ÀÚ¼± P2P ÇÁ·Î±×·¥ÀÇ µµ¿òµµ °¨»çµå¸³´Ï´Ù.
OS X¿ë Ŭ¶óÀÌ¾ðÆ®¿Í GromacsÇÁ·Î±×·¥ °³¹ß¿¡ ²ÙÁØÇÑ µµ¿òÀ» ÁֽŠstrong>¾ÖÇà ÄÄÇ»ÅÍ °ü°èÀÚ²² °¨»çµå¸³´Ï´Ù.
¸¶Áö¸·À¸·Î Ãʰí¼Ó ÀÎÅͳÝ(ÀÎÅÍ³Ý 2)ÇÁ·Î±×·¥, Office of Technological Licensing,
±×¸®°í Pande ±³¼ö¿¡°Ô Áö¿øµÇ´Â Terman Fellowship
À» Á¦°øÇϽнºÅÄÆ÷µå ´ëÇб³ °ü°èÀڵ鲲 ½É½ÉÇÑ °¨»ç¸¦ Ç¥ÇϰíÀÚ ÇÕ´Ï´Ù.
ÇöÀç Gromacs¿¡ °ü·ÃµÈ ÀÏÀ» µµ¿ÍÁÖ½Ç ºÐÀ» ã°í ÀÖ½À´Ï´Ù.
(Áï, ±¸Ã¼ÀûÀÎ ¹°ºÐÀÚ¸¦ ÀÌ¿ëÇÑ ´Ü¹éÁú Á¢Èû ¿¬±¸)
Cosm
Folding@home ÇÁ·ÎÁ§Æ®¿¡
Cosm ÇÁ·ÎÁ§Æ®´Â ÇÙ½ÉÀûÀÎ ¿ªÇÒÀ» ÇÏ¿´½À´Ï´Ù. Cosm ÇÁ·ÎÁ§Æ®´Â ³×Æ®¿öÅ©
°ü·Ã ¶óÀ̺귯¸®¿Í °°Àº ¼¹ö ¹× Ŭ¶óÀÌ¾ðÆ® ÇÁ·Î±×·¥ ÀÛ¼ºÀÇ ±âº»ÀûÀÎ
µµ±¸µé
(Mithral CS-SDK) À» Á¦°øÇÏ¿©
ÁÖ¾ú½À´Ï´Ù. Adam Beberg´Â CosmÀÇ
ÁÖ °³¹ßÀÚÀ̸ç, ´Ù¸¥
ÇÁ·Î±×·¡¸ÓµéÀÇ Âü¿©µµ ÀÖ¾î¿Ô½À´Ï´Ù.
TINKER
Folding@home ÀÇ
´Ü¹éÁú µ¿·ÂÇÐ °è»ê ºÎºÐÀº TINKER ÇÁ·Î±×·¥¿¡
±â¹ÝÇϰí ÀÖ½À´Ï´Ù.
ÀÌ ÇÁ·Î±×·¥Àº Jay Ponder's lab (Dept. of
Biochemistry & Molecular Biophysics located at the Washington University School
of Medicine in St. Louis, Missouri.)¿¡ ÀÇÇØ °³¹ßµÈ °·ÂÇÑ ºÐÀÚµ¿·ÂÇÐ °è»ê ÇÁ·Î±×·¥ÀÔ´Ï´Ù.
ÀÌÈÄ¿¡ °è¼ÓµÉ ÀÌ ÇÁ·Î±×·¥ÀÇ °³¹ß, ƯÈ÷ °è»ê ¼ÓµµÀÇ Çâ»óÀº
¾ÕÀ¸·Î Folding@HomeÀÇ ¹ßÀü¿¡ ¸¹Àº ¿µÇâÀ» ÁÙ °ÍÀ¸·Î ±â´ëµÇ°í ÀÖ½À´Ï´Ù.
ÀÚ¼¼ÇÑ »çÇ×Àº Ponder group site¿¡
¼Ò°³µÇ¾î ÀÖÀ¸¸ç, Tinker ÇÁ·Î±×·¥À» »ç¿ëÇÏ°í ½ÍÀº °æ¿ì »ç¿ëÀÚ
µ¿ÀǼ¸¦
ÀÐ°í ¼¸í µË´Ï´Ù.
Gromacs
We have recently incorporated
and heavily modified the Gromacs molecular simulation package for
Folding@Home. We are continuing to work with the Gromacs developers
to further improve Gromacs. For more details, see our Gromacs
page.
Folding@home°ú
ÇÔ²² ÇÏ´Â ¹Ú»çÈÄ ¿¬±¸¿ø °úÁ¤ ¾È³»
Pande GroupÀº Folding@home ¹× °ü·Ã
ºÐ¾ß¿¡¼ ÀÏÇÒ C, Fortran, Perl, HTML ¹× Linux¿¡ °æÇèÀÌ ÀÖÀ¸¸ç, »ýü
ºÐÀÚ¿¡ °üÇÑ ½Ã¹Ä·¹ÀÌ¼Ç °ü·Ã ¿¬±¸¿¡ Èï¹Ì¸¦ °®°í ÀÖ´Â ¹°¸®ÇÐ, ÈÇÐ, ±¸Á¶ »ý¹°ÇÐ ¶Ç´Â °ü·Ã ºÐ¾ßÀÇ ¹Ú»ç °úÁ¤
¼ÒÁöÀÚ¸¦ ã°í ÀÖ½À´Ï´Ù. ÀÚ¼¼ÇÑ »çÇ×Àº ¿µ¹®
ÆäÀÌÁö¸¦ ÂüÁ¶ÇϽʽÿÀ.
·Î°í¿¡
°üÇÏ¿©
Folding@HomeÀÇ ·Î°í´Â À¯ÀüÀÚÀÇ ¼¿¿¡ ÄÚµùµÈ ´Ü¹éÁú ¼¿·ÎºÎÅÍ ´Ü¹éÁúÀÇ ±¸Á¶¸¦ ¹àÈ÷·Á´Â ±×·ìÀÇ ¿¬±¸ ¸ñÇ¥ÀÇ
»ó¡ÀÔ´Ï´Ù. ·Î°íÀÇ ¿ÞÂÊ¿¡ ÀÖ´Â ÀÌÁß ³ª¼±Àº DNAÀÇ ÀÌÁß ³ª¼±À» Ç¥ÇöÇϰí ÀÖÀ¸¸ç ¿À¸¥ÂÊÀ¸·Î ÇâÇÏ´Â È»ìÇ¥´Â ´Ü¹éÁúÀÇ
beta±¸Á¶¸¦ ¿¬»ó½ÃŰ´Â ´Ü¹éÁú ±¸Á¶ÀÇ »ó¡ÀÔ´Ï´Ù.

À§ÀÇ ·Î°í¸¦ ÃÖ±Ù¿¡ ¾Æ·¡·Î°í·Î
¹Ù²Ù¾ú½À´Ï´Ù.

Mark Lowe´Ô²² ·Î°í¿Í À¥µðÀÚÀÎ
µµ¿òÀ» Áּ̽À´Ï´Ù.
ȸ麸ȣ±â¿¡
°üÇÏ¿©
ȸ麸ȣ±â´Â
½Ç½Ã°£À¸·Î °è»êµÇ°í ÀÖ´Â ´Ü¹éÁú ºÐÀÚ¸¦ º¸¿©ÁÝ´Ï´Ù. ±×¸²¿¡ ³ªÅ¸³ ºÐÀÚ´Â ÇöÀçÀÇ ´Ü¹éÁú ±¸Á¶¸¦ º¸¿©ÁÖ¸ç, ¿ÞÂÊÀÇ ¿øÇü
Â÷Æ®´Â ÇöÀç °è»êÀÇ ÁøÇà »óȲÀ» °£´ÜÈ÷
º¸¿© ÁÝ´Ï´Ù .
ÇöÀç Space-filling, ball-and-stick, wireframe, and alpha-trace°ú °°Àº
³×°¡Áö ¾ç½ÄÀÇ ±¸Á¶ Ç¥ÇöÀÌ °¡´ÉÇÕ´Ï´Ù. Ball-and-stick¿¡¼ °¢°¢ÀÇ °øµéÀº ¿øÀÚ¸¦ ³ªÅ¸³»¸ç, ¸·´ë´Â ¿øÀÚµé
»çÀÌÀÇ °áÇÕÀ» ³ªÅ¸³À´Ï´Ù. Space-filling¿¡¼´Â °¢°¢ÀÇ Å« ±¸µéÀÌ ¿øÀÚ¸¦ ³ªÅ¸³»¸ç, ±¸ÀÇ Å©±â´Â ¿øÀÚÀÇ ´ë·«ÀûÀÎ
Å©±â¿Í ÀÏÄ¡ÇÕ´Ï´Ù. Wireframe¿¡¼´Â ¿øÀÚµé »çÀÌÀÇ °áÇÕ¸¸ÀÌ Ç¥ÇöµÇ¸ç, °áÇÕÀ» Ç¥ÇöÇÏ´Â ¼± »çÀÇÀÇ ²ÀÁöÁ¡ÀÌ ¿øÀÚÀÇ
À§Ä¡¸¦ ³ªÅ¸³À´Ï´Ù. À§ÀÇ ¼¼°¡Áö ¾ç½Ä¿¡¼ ź¼Ò ¿øÀڴ £Àº ȸ»ö, ¼ö¼Ò´Â ¹àÀº ȸ»ö, »ê¼Ò´Â »¡°, Áú¼Ò´Â ÆÄ¶û, ±×¸®°í
Ȳ ¿øÀÚ´Â ³ë¶õ»öÀ¸·Î Ç¥ÇöµË´Ï´Ù. Alpha-trace ¾ç½Ä¿¡¼´Â °¢°¢ÀÇ ¾Æ¹Ì³ë»êÀ» ÇϳªÀÇ Åº¼Ò¿øÀÚ(alpha-carbon)¸¸À¸·Î
³ªÅ¸³»¾î ÀüüÀûÀÎ ´Ü¹éÁúÀÇ À±°ûÀ» °Á¶ÇÕ´Ï´Ù.
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