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Volume 18
Main
Chem-Bio Informatics Journal
Volume 18
Chem-Bio Informatics Journal
Volume 18
1
Binding properties between curcumin and malarial tubulin: molecular-docking and ab initio fragment molecular orbital calculations; 分子ドッキング及びフラグメント分子軌道計算によるクルクミンとチューブリン間の結合特性の解析;
Ota, Shintaro
,
Tomioka, Shougo
,
Sogawa, Haruki
,
Satou, Riku
,
Fujimori, Mitsuki
,
Karpov, Pavel
,
Shulga, Sergey
,
Blume, Yaroslav
,
Kurita, Noriyuki
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 958 KB
Your tags:
english, 2018
2
Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations; 可視化されたフラグメント分子軌道(FMO)計算結果のTensorFlowの応用による解釈;
Saitou, Sona
,
Iijima, Jun
,
Fujimoto, Mayu
,
Mochizuki, Yuji
,
Okuwaki, Koji
,
Doi, Hideo
,
Komeiji, Yuto
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 637 KB
Your tags:
english, 2018
3
Accuracy of Dimer-ES Approximation on Fragment Molecular Orbital (FMO) Method ; 側鎖分割したペプチドに対するdimer-es近似のHF及びMP2電子相関エネルギーに与える影響に関する検討;
Nakano, Tatsuya
,
Fukuzawa, Kaori
,
Okiyama, Yoshio
,
Watanabe, Chiduru
,
Komeiji, Yuto
,
Mochizuki, Yuji
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 494 KB
Your tags:
english, 2018
4
Analysis of physicochemical properties of drugs included in anticholinergic rating scales
Nagai, Junko
,
Kagaya, Hajime
,
Uesawa, Yoshihiro
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 594 KB
Your tags:
english, 2018
5
A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions; 付加的相互作用の導入が可能な散逸粒子動力学(DPD)シミュレーョンのため軽量コード;
Hideo, Doi
,
Koji, Okuwaki
,
Takamitsu, Naito
,
Sona, Saitou
,
Yuji, Mochizuki
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 901 KB
Your tags:
english, 2018
6
Molecular Discrimination of Barbital Enantiomer at the Propofol Binding Site of the Human β3 Homomeric GABAA Receptor ; ヒトb3 ホモマーGABAA受容体のプロポフォール結合部位におけるバルビツル対掌体の分子識別;
Seto, Tomoyoshi
,
Kato, Minoru
,
Koyano, Ken
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 980 KB
Your tags:
english, 2018
7
Responsible innovation in molecular robotics in Japan ; 日本における分子ロボティクスの責任あるイノベーション;
Yoshizawa, Go
,
van Est, Rinie
,
Yoshinaga, Daisuke
,
Tanaka, Mikihito
,
Shineha, Ryuma
,
Konagaya, Akihiko
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 455 KB
Your tags:
english, 2018
8
The Orbital-Effect-Myth ; 「軌道効果神話」;
Nishio, Motohiro
,
Kohno, Yuji
Journal:
Chem-Bio Informatics Journal
Year:
2018
File:
PDF, 419 KB
Your tags:
2018
9
All-atom molecular dynamics of film supported flat-shaped DNA origami in water; ç¡æ©ãã£ã«ã ä¸ã®DNAãªãªã¬ãã«å¯¾ããå ¨ååMDã·ãã¥ã¬ã¼ã·ã§ã³;
Azuma, Ryuzo
,
Kishi, Sae
,
Gutmann, Greg
,
Konagaya, Akihiko
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 4.58 MB
Your tags:
english, 2018
10
Biomolecular Chemical Simulations toward Elucidation of the Enantioselectivity and Reactivity of Lipases in Organic Synthesis ; ææ©åæã«ãããé µç´ ãªãã¼ã¼ã®é¡åä½é¸ææ§ã¨åå¿æ§ã®è§£æã«åããçä½åååå¦è¨ç®;
Yagi, Yoichiro
,
Kimura, Takatomo
,
Kamezawa, Makoto
,
Naoshima, Yoshinobu
Journal:
Chem-Bio Informatics Journal
Year:
2018
Language:
english
File:
PDF, 785 KB
Your tags:
english, 2018
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