Á¤º¸°úÇÐȸ³í¹®Áö (Journal of KIISE)
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ÇѱÛÁ¦¸ñ(Korean Title) |
ºÐ»ê ½´ÆÛÄÄÇ»ÅÍ ±â¼ú¿¡ ±â¹ÝÇÑ ½Å¾àÀçâÃ⠽ùķ¹ÀÌ¼Ç »ç·Ê ¿¬±¸ |
¿µ¹®Á¦¸ñ(English Title) |
A Case Study of Drug Repositioning Simulation based on Distributed Supercomputing Technology |
ÀúÀÚ(Author) |
±èÁ÷¼ö
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À̹ÎÈ£
±è¼¿µ
±è»ó¿Ï
Ȳ¼ø¿í
Jik-Soo Kim
Seungwoo Rho
Minho Lee
Seoyoung Kim
Sangwan Kim
Soonwook Hwang
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¿ø¹®¼ö·Ïó(Citation) |
VOL 42 NO. 01 PP. 0015 ~ 0022 (2015. 01) |
Çѱ۳»¿ë (Korean Abstract) |
º» ³í¹®¿¡¼´Â ±Ô¸ðÀÇ °è»ê ÀÛ¾÷À» °í¼º´ÉÀ¸·Î ó¸®ÇØ¾ß ÇÏ´Â ½Å¾àÀçâÃ⠽ùÄÀÌ¼Ç ºÐ¾ß¿¡ ºÐ»ê ½´ÆÛÄÄÇ» ±â¼úÀ» ¿ëÇÑ »ç·Ê¿¡ ÇØ ³íÀÇÇÏ°íÀÚ ÇÑ´Ù. ½Å¾àÀçâÃâÀ̶õ ±âÁ¸¿¡ ¾Ë·ÁÁø ¾à¹°ÀÇ »õ·Î¿î ÀÀÁõÀ» ±Ô¸íÇÏ´Â °ÍÀ» ÀǹÌÇϸç, ÀÌ·¯ÇÑ ½Å¾àÀçâÃâÀº ºñ±³ ªÀº ¼öÇà½Ã°£À» °®´Â ±Ô¸ðÀÇ µµÅ· (docking) ¿¬»êµéÀ» °í¼º´ÉÀ¸·Î ó¸®ÇؾßÇÑ´Ù´Â ¿¡¼ Many-Task Computing (MTC) ¼º°ÝÀ» Áö´Ï°í ÀÖ ´Ù. ÀÌ·¯ÇÑ MTC ÀÀ¿ëµéÀÇ Ç¥ »ç·Ê·Î¼ ½Å¾àÀçâÃ⠽ùÄÀ̼ÇÀ» ºÐ»ê ½´ÆÛÄÄÇ» ȯ°æ ±â¹ÝÀÇ HTCaaS ½Ã½ºÅÛ¿¡ ¿ëÇÏÀ¸¸ç, À̸¦ ÅëÇØ È¿À²ÀÎ ÀÛ¾÷ ¹èÆ÷, µ¿ÀÎ ÀÚ¿ø ÇÒ´ç ·Îµå ¹ë·±½Ì, ¾ÈÁ¤¼º ´Ù¾çÇÑ ÀÚ¿øµéÀÇ È¿À²ÀÎ ÅëÇÕ µîÀÌ ÀÌ·¯ÇÑ °úÇÐ ÀÀ¿ëµéÀ» Áö¿øÇÏ´Â µ¥ ÀÖ¾î ÇʼöÀÎ ±â´ÉÀÓÀ» È®ÀÎÇÒ ¼ö ÀÖ¾ú´Ù.
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¿µ¹®³»¿ë (English Abstract) |
In this paper, we present a case study for a drug repositioning simulation based on distributed supercomputing technology that requires highly efficient processing of large-scale computations. Drug repositioning is the application of known drugs and compounds to new indications (i.e., new diseases), and this process requires efficient processing of a large number of docking tasks with relatively short per-task execution times. This mechanism shows the main characteristics of a Many-Task Computing (MTC) application, and as a representative case of MTC applications, we have applied a drug repositioning simulation in our HTCaaS system which can leverage distributed supercomputing infrastructure, and show that efficient task dispatching, dynamic resource allocation and load balancing, reliability, and seamless integration of multiple computing resources are crucial to support these challenging scientific applications.
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Å°¿öµå(Keyword) |
½Å¾àÀçâÃâ
Many-Task Computing ÀÀ¿ë
ºÐ»ê ½´ÆÛÄÄÇ»
HTCaaS
drug repositioning
MTC application
distributed supercomputing
HTCaaS
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