نتائج البحث - "Chiduru Watanabe"

1

Academic Journal

Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method

المؤلفون: Daisuke Takaya, Shu Ohno, Toma Miyagishi, Sota Tanaka, Koji Okuwaki, Chiduru Watanabe, Koichiro Kato, Yu-Shi Tian, Kaori Fukuzawa

المصدر: Scientific Data, Vol 11, Iss 1, Pp 1-10 (2024)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2052-4463

URL الوصول: https://doaj.org/article/56f0a22607834f409fee408d3d5eacbd

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2

Academic Journal

Structural Stability and Binding Ability of SARS-CoV-2 Main Protease with GC376: A Stereoisomeric Covalent Ligand Analysis by FMO calculation

المؤلفون: Yuya Seki, Chiduru Watanabe, Norihiko Tani, Kikuko Kamisaka, Tatsuya Ohyama, Daisuke Takaya, Teruki Honma

المصدر: Chem-Bio Informatics Journal. 2024, 24:13-24

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3

Academic Journal

Application of Model Core Potentials to Zn- and Mg-containing Metalloproteins in the Fragment Molecular Orbital Method

المؤلفون: Ami Yamamoto, Chiduru Watanabe, Kaori Fukuzawa, Koichiro Kato

المصدر: Chem-Bio Informatics Journal. 2023, 23:14

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4

Academic Journal

Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti

المصدر: BMC Biology, Vol 20, Iss 1, Pp 1-20 (2022)

مصطلحات موضوعية: Aedes aegypti, Ecdysone, Ecdysteroid, Flavonoid, Glutathione S-transferase, Insect growth regulator, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1741-7007

URL الوصول: https://doaj.org/article/b49433e4465946a08dd1ecf88c040e05

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5

Academic Journal

Structure and Mechanism Analysis of Proteins by Fragment Molecular Orbital Calculations / フラグメント分子軌道計算による構造解析

المؤلفون: Chiduru WATANABE, Kaori FUKUZAWA, Koichiro KATO, 加藤幸一郎, 渡邉千鶴, 福澤薫

المصدر: 日本結晶学会誌 / Nihon Kessho Gakkaishi. 2023, 65(1):17

6

Academic Journal

Fragment molecular orbital calculations containing Mg2+ ions: PPlase domain of Cyclophilin G

المؤلفون: Chiduru Watanabe, Kaori Fukuzawa, Masayasu Fujii, Shigenori Tanaka

المصدر: Chem-Bio Informatics Journal. 2022, 22:55

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7

Academic Journal

FMO calculations for zinc metalloprotease:Fragmentation of amino-acid residues coordinated to zinc ion

المؤلفون: Chiduru Watanabe, Daichi Takimoto, Kaori Fukuzawa, Kurita Noriyuki, Kyohei Imai, Ryosuke Saito

المصدر: Chem-Bio Informatics Journal. 2022, 22:21

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8

Academic Journal

Importance of Hydrogen Atom Structure in Protein–Ligand Interaction Analysis -Toward Rational Drug Discovery Based on Quantum Chemical Calculations- / タンパク質–リガンド間相互作用解析における水素原子構造の重要性～量子化学計算データに基づく精緻な論理創薬へ向けた取り組み～

المؤلفون: Chiduru Watanabe, 渡邉千鶴

المصدر: 波紋 / hamon. 2022, 32(1):29

9

Academic Journal

Towards good correlation between fragment molecular orbital interaction energies and experimental IC50 for ligand binding: A case study of p38 MAP kinase

المؤلفون: Yinglei Sheng, Hirofumi Watanabe, Keiya Maruyama, Chiduru Watanabe, Yoshio Okiyama, Teruki Honma, Kaori Fukuzawa, Shigenori Tanaka

المصدر: Computational and Structural Biotechnology Journal, Vol 16, Iss , Pp 421-434 (2018)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037018300655; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/b27d0e33ee924923855840d31979ccc5

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10

Academic Journal

Development of an automated fragment molecular orbital (FMO) calculation protocol toward construction of quantum mechanical calculation database for large biomolecules

المؤلفون: Chiduru Watanabe, Daisuke Takaya, Hirofumi Watanabe, Kaori Fukuzawa, Shigenori Tanaka, Teruki Honma, Yoshio Okiyama

المصدر: Chem-Bio Informatics Journal. 2019, 19:5

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11

Academic Journal

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

المؤلفون: Chiduru Watanabe, Kaori Fukuzawa, Tatsuya Nakano, Yoshio Okiyama, Yuji Mochizuki, Yuto Komeiji, 中野達也, 古明地勇人, 望月祐志, 沖山佳生, 渡邉千鶴, 福澤薫

المصدر: Chem-Bio Informatics Journal. 2018, 18:119

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12

Academic Journal

A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA) / Bond detached atom (BDA)を共有しているフラグメント間の相互作用エネルギーの補正に関する試みII：ラジカル開裂補正

المؤلفون: Chiduru Watanabe, Kaori Fukuzawa, Tatsuya Nakano, Yoshio Okiyama, Yuji Mochidzuki, 中野達也, 望月祐志, 沖山佳生, 渡邉千鶴, 福澤薫

المصدر: Journal of Computer Aided Chemistry. 2019, 20:1

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13

Academic Journal

Prediction of the site of CYP3A4 metabolism of tolterodine by molecular dynamics simulation from multiple initial structures of the CYP3A4-tolterodine complex

المؤلفون: Akihiko Konagaya, Atsuko Sato, Chiduru Watanabe, Hitomi Yuki, Jun-ichi Saito, Teruki Honma

المصدر: Chem-Bio Informatics Journal. 2017, 17:38

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14

Academic Journal

FMOE: Preprocessing and Visualizing library of Fragment Molecular Orbital Method for Molecular Operating Environment / MOE用FMO前処理, 解析ライブラリの作成

المؤلفون: Chiduru Watanabe, Hirotomo Moriwaki, Teruki Honma, 本間光貴, 森脇寛智, 渡邉千鶴

المصدر: Proceedings of the Symposium on Chemoinformatics. 2018, :1

15

Academic Journal

A Preliminary Study of Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA) / Bond detached atom (BDA)を共有しているフラグメント間の相互作用エネルギーの補正に関する試み

المؤلفون: Chiduru Watanabe, Kaori Fukuzawa, Tatsuya Nakano, Yoshio Okiyama, Yuji Mochidzuki, 中野達也, 望月祐志, 沖山佳生, 渡邉千鶴, 福澤薫

المصدر: Journal of Computer Aided Chemistry. 2017, 18:143

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16

Academic Journal

Effects of Water Molecules and Configurations of Neighboring Amino Acid Residues Surrounding DsRed Chromophore on Its Excitation Energy / 赤色蛍光タンパク質 DsRed の色素部周辺における水分子ならびに隣接アミノ酸残基の構造の励起エネルギーへの影響評価

المؤلفون: Chiduru WATANABE, Kaori FUKUZAWA, Masataka SAKAGUCHI, Yuji MOCHIZUKI, 坂口正貴, 望月祐志, 渡邉千鶴, 福澤薫

المصدر: Journal of Computer Chemistry, Japan. 2015, 14(5):155

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17

Academic Journal

Application of fragment molecular orbital calculations to nano-biotechnogy field #1 / フラグメント分子軌道計算のナノバイオテクノロジーへの展開(その１)

المصدر: JSAP Annual Meetings Extended Abstracts. 2014, :64

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18

Academic Journal

Continuous multipole methodによるfragment molecular orbital法の高速化 / Efficient Calculation of Fragment Molecular Orbital Method with Continuous Multipole Method

المؤلفون: Chiduru Watanabe, Kaori Fukuzawa, Katsumi Yamashita, Katsunori Segawa, Shigenori Tanaka, Tatsuya Nakano, Yoshio Okiyama, Yuji Mochidzuki, 中野達也, 山下勝美, 望月祐志, 沖山佳生, 渡邉千鶴, 瀬川勝智, 田中成典, 福澤薫

المصدر: Journal of Computer Aided Chemistry. 2012, 13:44

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19

Academic Journal

Preference of feed supplemented butyric acid and lactic acid in sheep / メン羊における酪酸および乳酸を添加した飼料の嗜好性

المؤلفون: Chiduru WATANABE, Junko NAKATA, Takeo KAYABA, Toshiyoshi TAKAHASHI, 中田順子, 渡部千鶴, 萱場猛夫, 高橋敏能

المصدر: 日本緬羊研究会誌 / Japanese Journal of Sheep Science. 1997, 1997(34):20

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20

Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit

المؤلفون: Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, Hitomi Yuki, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Kaori Fukuzawa, Teruki Honma

المصدر: The Journal of Physical Chemistry Letters. 14:3609-3620

مصطلحات موضوعية: General Materials Science, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f2e86000f3cea4708bfbd4e2054b629b
https://doi.org/10.1021/acs.jpclett.2c03768

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