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J-GLOBAL ID：200902281502331230   Reference number：09A0494792

Verifying trivial parallelization of multicanonical molecular dynamics for conformational sampling of a polypeptide in explicit water

顕在する水分子中のポリペプチド立体配座サンプリングにおけるマルチカノニカル分子動力学のトリビアル並列化の検証
Author (5)：
HIGO Junichi

About HIGO Junichi

(The Center for Advanced Medical Engineering and Informatics, Osaka Univ., Open Laboratories for Advanced Bioscience ...)

About The Center for Advanced Medical Engineering and Informatics, Osaka Univ., Open Laboratories for Advanced Bioscience ...

, 
KAMIYA Narutoshi

About KAMIYA Narutoshi

(The Center for Advanced Medical Engineering and Informatics, Osaka Univ., Open Laboratories for Advanced Bioscience ...)

About The Center for Advanced Medical Engineering and Informatics, Osaka Univ., Open Laboratories for Advanced Bioscience ...

, 
SUGIHARA Takanori

About SUGIHARA Takanori

(Next-Generation Supercomputer R&D Center, RIKEN, 2-1-1 Marunouchi, Chiyoda, Tokyo 100-0005, JPN)

About Next-Generation Supercomputer R&D Center, RIKEN, 2-1-1 Marunouchi, Chiyoda, Tokyo 100-0005, JPN

, 
YONEZAWA Yasushige

About YONEZAWA Yasushige

(Inst. for Protein Res., Osaka Univ., Suita, Osaka 565-0871, JPN)

About Inst. for Protein Res., Osaka Univ., Suita, Osaka 565-0871, JPN

, 
NAKAMURA Haruki

About NAKAMURA Haruki

(Inst. for Protein Res., Osaka Univ., Suita, Osaka 565-0871, JPN)

About Inst. for Protein Res., Osaka Univ., Suita, Osaka 565-0871, JPN


Material：
Chemical Physics Letters  (Chem Phys Lett)

About Chemical Physics Letters


Volume： 473  Issue： 4-6  Page： 326-329  Publication year： May. 12, 2009 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 短報  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)
Thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
*polypeptide

About polypeptide

, 
*steric conformation

About steric conformation

, 
parallelization

About parallelization

, 
sampling(statistics)

About sampling(statistics)

, 
conformational analysis

About conformational analysis

, 
*molecular dynamics

About molecular dynamics

, 
trajectory(phase space)

About trajectory(phase space)

, 
nodal method

About nodal method

, 
*computer simulation

About computer simulation

, 
water molecule

About water molecule

, 
folded structure

About folded structure

, 
convergence

About convergence

, 
energy distribution

About energy distribution

, 
temperature dependence

About temperature dependence

, 
integration(unification)

About integration(unification)


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
マルチカノニカル分子動力学

About マルチカノニカル分子動力学

, 
molecular dynamic simulation

About molecular dynamic simulation


JST classification (3)：
JST classification
Category name(code) classified by JST.
Physical chemistry in general 
(CB01010X)

About Physical chemistry in general

,  Molecular structure 
(EB03020Y)

About Molecular structure

,  Numerical computation 
(JE02000J)

About Numerical computation

Terms in the title (8)：
Terms in the title
Keywords automatically extracted from the title.
水分子

About 水分子

, 
ペプチド立体配座

About ペプチド立体配座

, 
サンプリング

About サンプリング

, 
マルチカノニカル分子動力学

About マルチカノニカル分子動力学

, 
トリ

About トリ

, 
ビアル

About ビアル

, 
並列化

About 並列化

, 
検証

About 検証


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