Art

J-GLOBAL ID：201702212051156616   Reference number：17A0082668

Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling

アセチル化により誘導されたp53C末端ドメインの自由エネルギー地形の変化

Author (12)： Iida Shinji (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan) ,  Mashimo Tadaaki (Technology Research Association for Next Generation Natural Products Chemistry, 2-3-26 Aomi, Koto-Ku, Tokyo, 135-0064, Japan) ,  Mashimo Tadaaki (IMSBIO Co, Ltd, Owl Tower 6F, 4-21-1, Higashi-ikebukuro, Toshima-ku, Tokyo, 170-0013, Japan) ,  Kurosawa Takashi (Technology Research Association for Next Generation Natural Products Chemistry, 2-3-26 Aomi, Koto-Ku, Tokyo, 135-0064, Japan) ,  Kurosawa Takashi (Hitachi Solutions East Japan, 21-1 Ekimaehoncho, Kawasaki-ku, Kanagawa, 210-0007, Japan) ,  Hojo Hironobu (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan) ,  Muta Hiroya (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan) ,  Goto Yuji (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan) ,  Fukunishi Yoshifumi (Technology Research Association for Next Generation Natural Products Chemistry, 2-3-26 Aomi, Koto-Ku, Tokyo, 135-0064, Japan) ,  Fukunishi Yoshifumi (Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-36, Aomi, Koto-ku, Tokyo, 135-0064, Japan) ,  Nakamura Haruki (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan) ,  Higo Junichi (Institute for Protein Research Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan. [e-mail])
Material： Journal of Computational Chemistry  (J Comput Chem)
Volume： 37  Issue： 31  Page： 2687-2700  Publication year： Dec. 05, 2016 
JST Material Number： C0111B  ISSN： 0192-8651  CODEN： JCCHDD  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Thesaurus term： *p53 protein ,  *Amino Acid Sequence ,  *free energy ,  *steric conformation ,  Acetylation ,  disordered system ,  neutralization ,  electric charge ,  atom model ,  helix structure ,  *Computer Simulation ,  C terminal domain ,  *energy landscape ,  *Molecular Dynamics Simulation ,  *computer application ,  *utilization ,  amino acid ,  nitrogen heterocyclic compound ,  primary amine ,  aliphatic amine ,  aliphatic carboxylic acid
Semi thesaurus term： multicanonical molecular dynamics

Author keywords (5)： free energy landscape ,  p53 C-terminal ,  intrinsically disordered ,  post-translation modification ,  multicanonical

JST classification (2)： Molecular structure  (EB03020Y) ,  Computer simulation  (JE11000H)

Substance index (2)： Histidine ,  Lysine

Terms in the title (3)： アセチル化 ,  誘導 ,  エネルギー地形