FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method von Takaya, Daisuke, Watanabe, Chiduru, Nagase, Shunpei, Kamisaka, Kikuko, Okiyama, Yoshio, Moriwaki, Hirotomo, Yuki, Hitomi, Sato, Tomohiro, Kurita, Noriyuki, Yagi, Yoichiro, Takagi, Tatsuya, Kawashita, Norihito, Takaba, Kenichiro, Ozawa, Tomonaga, Takimoto-Kamimura, Midori, Tanaka, Shigenori, Fukuzawa, Kaori, Honma, Teruki

Volltext

Biomolecular Chemical Simulations on Enantioselectivity and Reactivity of Lipase Enzymes to Azulene Derivatives von Yagi, Yoichiro, Kimura, Takatomo, Kamezawa, Makoto

Volltext

Large-Scale All-Electron Quantum Chemical Calculation Toward a Sweet-Tasting Protein, Brazzein, and Its Mutants von Yagi, Yoichiro, Naoshima, Yoshinobu

Volltext

Large-Scale Quantum Chemical Calculation on the Complexes of HIV-1 Protease and Inhibitors: A Relationship of Calculation Energies with Drug Effects of Inhibitors von Yagi, Yoichiro, Hattori, Yousuke, Naoshima, Yoshinobu

Volltext

Large-Scale Biomolecular Chemical Computations toward the Prediction of Burkholderia cepacia Lipase Enantioselectivity von Yagi, Yoichiro, Tanaka, Takahisa, Imagawa, Atsushi, Moriya, Yosuke, Mori, Yoshihiro, Kimura, Takatomo, Kamezawa, Makoto, Naoshima, Yoshinobu

Volltext

Temperature Dependence of Surface States with 33-.RAD.3.RAD.3 Phase Transition on Sn Adsorbed Ge (111) Surface von Kaji, Hiroko, Kakitani, Kiminori, Yagi, Yoichiro

Volltext

Biomolecular Chemical Simulations toward Elucidation of the Enantioselectivity and Reactivity of Lipases in Organic Synthesis von Yagi, Yoichiro, Kimura, Takatomo, Kamezawa, Makoto, Naoshima, Yoshinobu

Volltext

Temperature Dependence of Surface States with 3×3-√3×√3 Phase Transition on Sn Adsorbed Ge (111) Surface von Kaji, Hiroko, Kakitani, Kiminori, Yagi, Yoichiro

Volltext

Transformation to soluble model for structural phase transition from (4 × 1) to (8 × “2”) of In-adsorbed Si(1 1 1) surface von Yagi, Yoichiro, Yoshimori, Akio, Kakitani, Kiminori, Kaji, Hiroko

Volltext

Temperature Dependence of Surface States with 3x3-sqrt3xsqrt3 Phase Transition on Sn Adsorbed Ge (111) Surface von Kaji, Hiroko, Kakitani, Kiminori, Yagi, Yoichiro

Volltext

Intrinsic Motivation and Creativity in Team Situations von YAGI, Yoichiro

Volltext

All-Electron Quantum Chemical Calculation toward Elucidation of Protein Function: Relationship between Electronic States of Sweet-Tasting Protein and its Sweetness von YAGI, Yoichiro, KIMURA, Takatomo, KAMEZAWA, Makoto

Volltext

有機合成における酵素リパーゼの鏡像体選択性と反応性の解明に向けた生体分子化学計算 von 矢城, 陽一朗, 木村, 崇知, 亀澤, 誠, 直島, 好伸

Volltext

Vibrational States and Atomic Arrangement of Hydrogen Adsorbed Ni (111) Surface von KAJI, Hiroko, KAKITANI, Kiminori, YAGI, Yoichiro, YOSHIMORI, Akio

Volltext

Structure Analysis of Ge (100) von YAGI, Yoichiro, KAKITANI, Kiminori, KAJI, Hiroko, YOSHIMORI, Akio

Volltext

24pXJ-2 Temperature dependence of surface Electronic states accompanying with phase transition on Pb or Sn adsorbed Si(111) surface von Kakitani, Kiminori, Kaji, Hiroko, Yagi, Yoichiro, Osanaga, Shingo

Volltext

20aPS-34 Phase transition of Pb/Ge(111) von Yagi, Yoichiro, Kakitani, Kiminori, Kaji, Hiroko, Osanaga, Shingo

Volltext

30aPS-37 Details of phase transition of In/Si(111)(4x1)-(8x"2") von Yagi, Yoichiro, Kakitani, Kiminori, Kaji, Hiroko, Yoshimori, Akio

Volltext

Short Range Order of Au/Si(111)5×2 Surface von KAKITANI, Kiminori, YAGI, Yoichiro, YOSHIMORI, Akio

Volltext

Short Range Order of Au/Si(111)52 Surface von KAKITANI, Kiminori, YAGI, Yoichiro, YOSHIMORI, Akio

Volltext