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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 Å¬¶óÀÌ¾ðÆ® ¹× ¼­¹ö ÇÁ·Î±×·¥À» ÀÛ¼ºÇÏ¿´½À´Ï´Ù

 

Vijay S. Pande ±³¼ö

¿¬±¸À§¿ø
client, server, stats, analysis, web


Adam L. Beberg

distributed computing advisor, general client and server coding, OS X client

À̽ÂÁÖ

RNA Á¢Èû, »þÆä·Ð¾È¿¡¼­ ´Ü¹éÁú Á¢Èû

Lillian Chong

Cytokine Design; Oligomerization Simulation

Tug Sezen

Education pages

Jarrod Chapman

0.9x client code, MPI code

ÀÌ¿µ¹Î

server code, REMD, Alzheimer peptide analysis

 

 

Chelsea Hua

3.x development

Michael Shirts

ensemble dynamics methodology, "STinker" MD code mods

Guha Jayachandran

2.x development, 3.x development, OS X core, Gromacs cores (all platforms), web pages, Genome@Home 2.0 development

Chris Snow

analysis, server, analysis code, backend db, stats system (db+ web), misc web site

Siraj Khaliq

1.x development; 2.x architecture, development

Eric Sorin

RNA folding, beta hairpin analysis

Stefan Larson

web infrastructure, Genome@Home

Vishal Vaidyanathan

Protein folding, protein design

   

Bojan Zagrovic

beta hairpin & villin folding analysis

 

¿¬±¸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.


È­¸éº¸È£±â¿¡ °üÇÏ¿©

È­¸éº¸È£±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.

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 
(c) 2000-2003 Vijay Pande and Stanford University