Art

J-GLOBAL ID：201902224923265617   Reference number：19A1914179

Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid

オカダ酸における分子内水素結合強度の推定のための分子動力学および量子化学アプローチ【JST・京大機械翻訳】

Author (5)： Matsui Toru (Graduate School of Pure and Applied Sciences, University of Tsukuba) ,  Yamamoto Kanako (Master’s program in Education, University of Tsukuba) ,  Fujita Takehiro (Graduate School of Pure and Applied Sciences, University of Tsukuba) ,  Morihashi Kenji (Graduate School of Pure and Applied Sciences, University of Tsukuba) ,  Morihashi Kenji (Master’s program in Education, University of Tsukuba)
Material： Journal of Physical Chemistry B  (Journal of Physical Chemistry B. Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter)
Volume： 122  Issue： 29  Page： 7233-7242  Publication year： 2018 
JST Material Number： W0921A  ISSN： 1520-6106  CODEN： JPCBFK  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： We have evaluated the strength...

Register(free) or Log In to access     To see more with JDream III (charged).   {{ this.onShowAbsJLink("http://jdream3.com/lp/jglobal/index.html?docNo=19A1914179&from=J-GLOBAL&jstjournalNo=W0921A") }}

Thesaurus term： *molecular dynamics ,  *quantum chemistry ,  binding energy ,  Proteins ,  Computer Simulation ,  permittivity ,  *intramolecular hydrogen bond ,  stable structure ,  *hydrogen bond ,  deprotonation ,  protonation ,  bond angle ,  Molecular Dynamics Simulation ,  quantum chemical calculation ,  computer application ,  utilization ,  amino acid ,  aliphatic amine ,  aliphatic carboxylic acid ,  primary amine ,  acetal ,  spiro-compound ,  oxygen heterocyclic compound ,  olefin compound ,  secondary alcohol ,  hydroxy acid

JST classification (3)： Molecular compounds  (CE02000C) ,  Molecular structure  (EB03020Y) ,  Aromatic monocyclic phenols and polyphenols  (CF05090V)

Substance index (2)： Arginine ,  Okadaic acid

Terms in the title (5)： オカダ酸 ,  分子内水素結合 ,  推定 ,  分子動力学 ,  量子化学