SHIGETA Yasuteru

Researcher's full information

Refereed academic journal/Refereed international conference paper

• Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase
  Kongkaew Nalinee; Hengphasatporn Kowit; Shigeta Yasute...
  JOURNAL OF PHYSICAL CHEMISTRY LETTERS/15(21)/pp.5696-5704, 2024-05-20
• Development of Membrane Permeability Coefficient by Means of Novel Molecular Dynamics Methods
  Harada Ryuhei; Mitsuta Yuki; Shigeta Yasuteru
  YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN/144(5)/pp.545-551, 2024-04-01
• Theoretical study on molecular charge populations of 1D π-stacked multimers in neutral and electron oxidation states
  Yoshida Wataru; Shigeta Yasuteru; Matsui Hiroshi; Miya...
  BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN/97(3), 2024-03-01
• Deciphering the Potential of Multidimensional Carbon Materials for Surface-Enhanced Raman Spectroscopy through Density Functional Theory
  Tang Xuke; Kishimoto Naoki; Kitahama Yasutaka; You Ti...
  JOURNAL OF PHYSICAL CHEMISTRY LETTERS/14(45)/pp.10208-10218, 2023-11-06
• Manipulation of photosynthetic energy transfer by vibrational strong coupling
  Dong Jun-Yu; Kitahama Yasutaka; Fujita Takatoshi; Adac...
  JOURNAL OF CHEMICAL PHYSICS/160(4), 2024-01-28
• Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions
  Fujiki Ryo; Matsui Toru; Shigeta Yasuteru; Yoshida No...
  CHEMISTRY LETTERS/53(1), 2024-01
• Combining AI-based Modeling and Flexible Docking for Efficient Refinement of Protein-RNA Complexes using PaCS-MD
  Hengphasatporn Kowit; Nitchakan Darai; Harada Ryuhei; ...
  PROTEIN SCIENCE/32(12), 2023-12
• Network topology diversification of porous organic salts
  Sei Hiroi; Oka Kouki; Hori Yuta; Shigeta Yasuteru; To...
  Chemical Science/15(21)/pp.8008-8018, 2024-05-01
• Cocrystalline Matrices for Hyperpolarization at Room Temperature Using Photoexcited Electrons
  Inukai Munehiro; Sato Haruki; Miyanishi Koichiro; Nego...
  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/146(21)/pp.14539-14545, 2024-05-29
  
  PubMed
• Grinding-Induced Water Solubility Exhibited by Mechanochromic Luminescent Supramolecular Fibers
  Liu Qiming; Zhang Tianyue; Ikemoto Yuka; Shinozaki Yu...
  SMALL/Epub, 2024-03-10
  
  PubMed
• Site Identification and Next Choice Protocol for Hit-to-Lead Optimization
  Kudo Genki; Hirao Takumi; Yoshino Ryunosuke; Shigeta ...
  JOURNAL OF CHEMICAL INFORMATION AND MODELING/64(11)/pp.4475-4484, 2024-05-20
  
  PubMed
• FMO-guided design of darunavir analogs as HIV-1 protease inhibitors
  Chuntakaruk Hathaichanok; Hengphasatporn Kowit; Shigeta...
  SCIENTIFIC REPORTS/14(1)/p.3639, 2024-02-13
  
  PubMed
• Origin of Homochirality in Amino Acids Induced by Lyman-α Irradiation in the Early Stage of the Milky Way
  Sato Akimasa; Shoji Mitsuo; Watanabe Natsuki; Boero M...
  ASTROBIOLOGY/23(10)/pp.1019-1026, 2023-10-01
  
  PubMed
• Pathological mutations promote proteolysis of mitochondrial tRNA-specific 2-thiouridylase 1 (MTU1) via mitochondrial caseinolytic peptidase (CLPP)
  Ahmad Raja Norazireen Raja; Zhang Long-Teng; Morita Ri...
  NUCLEIC ACIDS RESEARCH/52(3)/pp.1341-1358, 2024-02-09
  
  PubMed
• Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning
  Kongkaew Nalinee; Hengphasatporn Kowit; Injongkol Yuwa...
  RSC ADVANCES/13(46)/pp.32266-32275, 2023-10-31
• Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
  Murakawa Takeshi; Kurihara Kazuo; Shoji Mitsuo; Yano ...
  ACS CATALYSIS/13(18)/pp.12403-12413, 2023-09-07
• The 8-bromobaicalein alleviated chikungunya-induced musculoskeletal inflammation and reduced the viral load in healthy adult mice
  Cao Van; Loeanurit Naphat; Hengphasatporn Kowit; Haira...
  EMERGING MICROBES & INFECTIONS/12(2), 2023-12-08
• Systematic Search for Stabilizing Dopants in ZrO₂ and HfO₂ Using First-Principles Calculations
  Harashima Yosuke; Koga Hiroaki; Ni Zeyuan; Yonehara T...
  IEEE TRANSACTIONS ON SEMICONDUCTOR MANUFACTURING/36(4)/pp.543-546, 2023-11
• Latrunculin resistance mechanism of non-conventional actin NAP1 uncovered by molecular dynamics simulations
  Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
  CYTOSKELETON/Epub, 2023-10-10
• Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery
  Chuntakaruk Hathaichanok; Boonpalit Kajjana; Kinchagawa...
  JOURNAL OF COMPUTATIONAL CHEMISTRY/45(13)/pp.953-968, 2024-01-04
  
  PubMed
• Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping
  Sakai Takahiro; Mashima Tsuyoshi; Kobayashi Naoya; Oga...
  NATURE COMMUNICATIONS/14(1)/p.7807, 2023-12-08
  
  PubMed
• A sulfonamide chalcone inhibited dengue virus with a potential target at the SAM-binding site of viral methyltransferase
  Cao Van; Sukanadi I Putu; Loeanurit Naphat; Suroengrit...
  ANTIVIRAL RESEARCH/220, 2023-12-01
  
  PubMed
• Synthesis and biological evaluation of 2'-hydroxychalcone derivatives as AMPK activators
  Vu Nguyen Duy; Muanprasat Chatchai; Kaewin Suchada; Hengp...
  BIOORGANIC CHEMISTRY/143, 2023-12-21
  
  PubMed
• 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
• more...