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栢沼愛

ALUMNI 2025年5月現在、筑波大学が主たる所属機関ではありません

Kayanuma, Megumi

産業技術総合研究所 , マテリアルDX研究センター , 主任研究員
National Institute of Advanced Indstrial Science and Technology , Materials DX Research Center

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21. A Practical Approach for Searching Stable Molecular Structures by Introducing Repulsive Interactions among Walkers Shoji Mitsuo; Kayanuma Megumi; Shigeta Yasuteru
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91: 1465 (2018) Semantic Scholar
22. Electrochemical Generation and Spectroscopic Characterization of the Key Rhodium(III) Hydride Intermediates of Rhodium Poly(bipyridyl) H₂-Evolving Catalysts. Castillo CE; Stoll T; Sandroni M; Gueret R (+5 著者) Collomb MN
Inorganic chemistry 57: 11225 (2018) Semantic Scholar
23. First-principles study of the formation of glycine-producing radicals from common interstellar species Akimasa Sato; Yuya Kitazawa; Toshiro Ochi; Mitsuo Shoji (+4 著者) Yasuteru Shigeta
Molecular Astrophysics 10: 11 (2018) Semantic Scholar
24. A theoretical study of the formation of glycine via hydantoin intermediate in outer space environment Megumi Kayanuma; Kaori Kidachi; Mitsuo Shoji; Yu Komatsu (+3 著者) Masayuki Umemura
CHEMICAL PHYSICS LETTERS 687: 178 (2017) Semantic Scholar
25. Molecular Mechanism of the Reaction Specificity in Threonine Synthase: Importance of the Substrate Conformations Ujiie, Yuzuru; Tanaka, Wataru; Hanaoka, Kyohei; Harada, Ryuhei (+5 著者) Hayashi, Hideyuki
The journal of physical chemistry. B 121: 5536 (2017) Semantic Scholar
26. Classical Cumulant Dynamics for Statistical Chemical Physics Shigeta Yasuteru; Harada Ryuhei; Sato Ryuma; Kitoh-Nishioka Hirotaka (+8 著者) Shoji Mitsuo
MOLECULAR SIMULATION 43: 1260 (2017) Semantic Scholar
27. Catalytic Mechanism of Nitrile Hydratase Subsequent to Cyclic Intermediate Formation: A QM/MM Study Megumi Kayanuma; Mitsuo Shoji; Masafumi Yohda; Masafumi OdakaYasuteru Shigeta
JOURNAL OF PHYSICAL CHEMISTRY B 120: 3259 (2016) Semantic Scholar
28. Molecular mechanisms of substrate specificities of uridinecytidine kinase. Wataru Tanaka; Mitsuo Shoji; Fumiaki Tomoike; Yuzuru Ujiie (+7 著者) Yasuteru Shigeta
Biophysics and physicobiology 13: 77 (2016) Semantic Scholar
29. Photo-induced redox catalysis for proton reduction to hydrogen with homogeneous molecular systems using rhodium-based catalysts Thibaut Stoll; Carmen E. Castillo; Megumi Kayanuma; Martina Sandroni (+3 著者) Marie-Noelle Collomb
COORDINATION CHEMISTRY REVIEWS 304: 20 (2015) Semantic Scholar
30. Molecular dynamics study on the key catalytic intermediates of threonine synthase Mitsuo Shoji; Yuzuru Ujiie; Ryuhei Harada; Megumi Kayanuma (+2 著者) Hideyuki Hayashi
PROTEIN SCIENCE 24: 18 (2015)
31. Performance of the divide-and-conquer approach used as an initial guess Mitsuo Shoji; Megumi Kayanuma; Hiroaki Umeda; Yasuteru Shigeta
CHEMICAL PHYSICS LETTERS 634: 181 (2015) Semantic Scholar
32. A QM/MM study of the 5 '-AMP DNA hydrolysis of aprataxin Kyohei Hanaoka; Wataru Tanaka; Megumi Kayanuma; Mitsuo Shoji
CHEMICAL PHYSICS LETTERS 631: 16 (2015) Semantic Scholar
33. Light absorption and excitation energy transfer calculations in primitive photosynthetic bacteria Yu Komatsu; Megumi Kayanuma; Mitsuo Shoji; Kazuhiro Yabana (+1 著者) Masayuki Umemura
MOLECULAR PHYSICS 113: 1413 (2015) Semantic Scholar
34. Quantal Cumulant Dynamics for Real-Time Simulations of Quantum Many-Body Systems Yasuteru Shigeta; Ryuhei Harada; Megumi Kayanuma; Mitsuo Shoji
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115: 300 (2015) Semantic Scholar
35. A QM/MM study of the initial steps of catalytic mechanism of nitrile hydratase Megumi Kayanuma; Kyohei Hanaoka; Mitsuo Shoji; Yasuteru Shigeta
CHEMICAL PHYSICS LETTERS 623: 8 (2015) Semantic Scholar
36. Involvement of Propionate Side Chains of the Heme in Circular Dichroism of Myoglobin: Experimental and Theoretical Analyses Masako Nagai; Chika Kobayashi; Yukifumi Nagai; Kiyohiro Imai (+5 著者) Shigenori Nagatomo
JOURNAL OF PHYSICAL CHEMISTRY B 119: 1275 (2015) Semantic Scholar
37. A computational mechanistic investigation of hydrogen production in water using the [Rh-III(dmbpy)(2)Cl-2](+)/[Ru-II(bpy)(3)](2+)/ascorbic acid photocatalytic system Megumi Kayanuma; Thibaut Stoll; Chantal Daniel; Fabrice Odobel (+2 著者) Marie-Noelle Collomb
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17: 10497 (2015) Semantic Scholar
38. Spectroscopic trends in a series of Re(I) alpha-diimine complexes as a function of the antenna/photoisomerizable ligands: a TD-DFT and MS-CASPT2 study Megumi Kayanuma; Chantal Daniel; Etienne Gindensperger
CANADIAN JOURNAL OF CHEMISTRY 92: 979 (2014) Semantic Scholar
39. A QM/MM Study of the L-Threonine Formation Reaction of Threonine Synthase: Implications into the Mechanism of the Reaction Specificity Mitsuo Shoji; Kyohei Hanaoka; Yuzuru Ujiie; Wataru Tanaka (+8 著者) Hideyuki Hayashi
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136: 4525 (2014) Semantic Scholar
40. 1P074 ニトリルヒドラターゼ(NHase)によるアミド生成機構に関する理論的研究(01D. 蛋白質 : 機能,ポスター,第52回日本生物物理学会年会(2014年度)) Kayanuma Megumi; Shoji Mitsuo; Shigeta Yasuteru
Seibutsu Butsuri 54: S153 (2014) Semantic Scholar

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