SHIGETA Yasuteru

Researcher's full information

Refereed academic journal/Refereed international conference paper

• Finite temperature effects on the structural stability of Si-doped HfO₂ using first-principles calculations
  Harashima Y.; Koga H.; Ni Z.; Yonehara T.; Katouda M...
  APPLIED PHYSICS LETTERS/122(26), 2023-06-26
• A Variety of Initial Velocities in Restarting Molecular Dynamics Simulations Promotes Protein Transitions
  Mune Yohei; Shigeta Yasuteru; Harada Ryuhe
  CHEMISTRY LETTERS/52(5)/pp.385-388, 2023-05
• Structure-yeast α-glucosidase inhibitory activity relationship of 9-O-berberrubine carboxylates
  Nguyen Duy Vu; Hengphasatporn Kowit; Danova Ade; Suroe...
  SCIENTIFIC REPORTS/13(1), 2023-11-01
  
  PubMed
• Helical Organic and Inorganic Polymers
  Hirata So; Shigeta Yasuteru; Xantheas Sotiris S.; Bart...
  JOURNAL OF PHYSICAL CHEMISTRY B/127(15)/pp.3556-3583, 2023-04
• Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids
  Shoji Mitsuo; Kitazawa Yuya; Sato Akimasa; Watanabe N...
  JOURNAL OF PHYSICAL CHEMISTRY LETTERS/14(13)/pp.3243-3248, 2023-04
• Theoretical Study on the Regulating Mechanism of the Transition Between the Open-closed State of hCtBP2: A Combined Molecular Dynamics and Quantum Mechanical Interaction Analysis
  Yamamoto Yuta; Shigeta Yasuteru
  CHEMISTRY LETTERS/52(3)/pp.120-123, 2023-02
• Development of an Iron(II) Complex Exhibiting Thermal- and Photoinduced Double Proton-Transfer-Coupled Spin Transition in a Short Hydrogen Bond
  Nakanishi Takumi; Hori Yuta; Shigeta Yasuteru; Sato H...
  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/145(35)/pp.19177-19181, 2023-09
  
  PubMed
• New insights into the oxidation process from neutron and X-ray crystal structures of an O2-sensitive [NiFe]-hydrogenase
  Hiromoto Takeshi; Nishikawa Koji; Inoue Seiya; Ogata ...
  CHEMICAL SCIENCE/14(35)/pp.9306-9315, 2023-08
• Pocket to concavity: a tool for the refinement of protein-ligand binding site shape from alpha spheres
  Kudo Genki; Hirao Takumi; Yoshino Ryunosuke; Shigeta ...
  BIOINFORMATICS/39(4), 2023-04-03
  
  PubMed
• Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL^pro through Structure-Based Virtual Screening and Experimental Approaches
  Pojtanadithee Piyatida; Hengphasatporn Kowit; Suroengri...
  JOURNAL OF CHEMICAL INFORMATION AND MODELING/Epub, 2023-08-15
  
  PubMed
• Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory
  Watanabe Natsuki; Hori Yuta; Shoji Mitsuo; Boero Maur...
  CHIRALITY/35(9)/pp.645-651, 2023-04
• A Structural Refinement Technique for Protein-RNA Complexes Based on a Combination of AI-based Modeling and Flexible Docking: A Study of Musashi-1 Protein
  Hengphasatporn Kowit; Darai Nitchakan; Wolschann Peter...
  BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN/96(7)/pp.677-685, 2023-6-23
• Lichen-Derived Diffractaic Acid Inhibited Dengue Virus Replication in a Cell-Based System
  Loeanurit Naphat; Tuong Truong Lam; Nguyen Van-Kieu; V...
  Molecules (Basel, Switzerland)/28(3), 2023-01-18
  
  PubMed
• N-Containing alpha-Mangostin Analogs via Smiles Rearrangement as the Promising Cytotoxic, Antitrypanosomal, and SARS-CoV-2 Main Protease Inhibitory Agents
  Pyae Nan Yadanar Lin; Maiuthed Arnatchai; Phongsopitanu...
  Molecules (Basel, Switzerland)/28(3), 2023-01-22
  
  PubMed
• X-ray crystallographic and mutational analysis of the NylC precursor: catalytic mechanism of autocleavage and substrate hydrolysis of nylon hydrolase
  Negoro Seiji; Shibata Naoki; Kato Dai-Ichiro; Tanaka ...
  FEBS JOURNAL/290(13)/pp.3400-3421, 2023-07-01
  
  PubMed
• In silico screening of chalcones and flavonoids as potential inhibitors against yellow head virus 3C-like protease
  Boonthaworn Kanpong; Hengphasatporn Kowit; Shigeta Yas...
  PEERJ/11, 2023-04-01
  
  PubMed
• The 8-bromobaicalein inhibited the replication of dengue, and Zika viruses and targeted the dengue polymerase
  Boonyasuppayakorn Siwaporn; Saelee Thanaphon; Huynh Th...
  SCIENTIFIC REPORTS/13(1)/p.7651, 2023-03-25
  
  PubMed
• Sulfonylated Indeno[1,2-c]quinoline Derivatives as Potent EGFR Tyrosine Kinase Inhibitors
  Hengphasatporn Kowit; Aiebchun Thitinan; Mahalapbutr P...
  ACS OMEGA/8(22)/pp.19645-19655, 2023-06-06
  
  PubMed
• Designing Potent α-Glucosidase Inhibitors: A Synthesis and QSAR Modeling Approach for Biscoumarin Derivatives
  Phan Thi-Hong-Truc; Hengphasatporn Kowit; Shigeta Yasu...
  ACS OMEGA/8(29)/pp.26340-26350, 2023-07-25
  
  PubMed
• Vacancy-type defects in TiN/ZrO2/TiN capacitors probed by monoenergetic positron beams
  Uedono Akira; Takahashi Naomichi; Hasunuma Ryu; Harash...
  THIN SOLID FILMS/762, 2022-11
• Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses
  Munei Yohei; Hengphasatporn Kowit; Hori Yuta; Harada ...
  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY/71(24)/pp.9528-9537, 2023-06-21
  
  PubMed
• 1T/1H-SnS₂ Sheets for Electrochemical CO₂ Reduction to Formate
  Kawabe Yusuke; Ito Yoshikazu; Hori Yuta; Kukunuri Sur...
  ACS NANO/17(12)/pp.11318-11326, 2023-06-27
  
  PubMed
• Enantioselective Amino Acid interactions in Solution
  Watanabe Natsuki; Shoji Mitsuo; Miyagawa Koichi; Hori ...
  PHYSICAL CHEMISTRY CHEMICAL PHYSICS/25(21)/pp.15023-15029, 2023-05
• Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement
  Nakanishi Takumi; Hori Yuta; Shigeta Yasuteru; Sato H...
  PHYSICAL CHEMISTRY CHEMICAL PHYSICS/25(17)/pp.12394-12400, 2023-04
• Efficient Screening of Protein-Ligand Complexes in Lipid Bilayers Using LoCoMock Score
  Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
  JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN/37(4)/pp.217-225, 2023-03
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