SHIGETA Yasuteru
- Refereed academic journal/Refereed international conference paper
- CO2 Fixation and Release Mediated by Carbonate-Based Coordination Polymers
Kadota Kentaro; Matsui Sae; Traverson Ayoub; Hori Yut...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/147(33)/pp.30022-30029, 2025-08-20 - DFT study of the origin of enantioselectivity of Ni-catalyzed asymmetric hydrogenation of cyclic sulfamidate imine to chiral cyclic sulfamidates
Apilardmongkol Pavee; Ratanasak Manussada; Parasuk Vud...
COMPUTATIONAL AND THEORETICAL CHEMISTRY/1252, 2025-10 - Tumor-expressed GPNMB orchestrates Siglec-9+ TAM polarization and EMT to promote metastasis in triple-negative breast cancer
Dang Cao Thuy Linh; Kawanishi Kunio; Hashimoto Sachie; ...
Proceedings of the National Academy of Sciences of the United States of America/122(36), 2025-09-09 - Growth inhibitory factor/metallothionein-3 is a sulfane sulfur-binding protein
Shinkai Yasuhiro; Ding Yunjie; MATSUI Toru; Devitt Ge...
eLife/12, 2025-05 - Theoretical design of higher performance catalysts for ethylene polymerization based on nickel-α-diimine
Apilardmongkol Pavee; Ratanasak Manussada; Chokbunpiam ...
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/27(27)/pp.14613-14623, 2025-07-10 - Oligopyrrole-Based Anion-Responsive π-Electronic Systems That Exhibit Anion-Dependent Chiroptical Properties
Lakshmi Vellanki; Haketa Yohei; Sato Ryuma; Shigeta Y...
JOURNAL OF ORGANIC CHEMISTRY/90(26)/pp.8879-8885, 2025-06-24 - PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation
Duan Lian; Hengphasatporn Kowit; Shigeta Yasuteru
JOURNAL OF CHEMICAL INFORMATION AND MODELING/65(13)/pp.6441-6445, 2025-06-26 - Construction of PROTAC-Mediated Ternary Complex Structure Distribution Profiles Using Extensive Conformational Search
Kudo Genki; Hirao Takumi; Harada Ryuhei; Shigeta Yasu...
JOURNAL OF CHEMICAL INFORMATION AND MODELING/65(13)/pp.6939-6948, 2025-06-23 - Investigation of Chemical Properties within Chaperonins in Stabilizing Substrate Protein Conformations Using Biomolecular Environment-Mimicking Model
Yasuda Takunori; Okamoto Yoshino; Shigeta Yasuteru; Ha...
JOURNAL OF PHYSICAL CHEMISTRY LETTERS/16(25)/pp.6321-6327, 2025-06-14 - Protein arginine methylation regulates anti-inflammatory programming in response to aging stress
Yuan Yao; Motomura Kaori; Kim Jun-Dal; Hengphasatporn ...
ISCIENCE/28(8), 2025-08 - Mechanistic Insights into Enhanced Reactivation of Organophosphate-Inhibited Enzymes by Methyl-Substituted 2-Pralidoxime Analogs
Naweephattana Phiphob; Kongkaew Nalinee; Surawatanawong...
JOURNAL OF PHYSICAL CHEMISTRY B/129(23)/pp.5698-5706, 2025-05-27 - Mechanistic Insights into PRRSV Inhibition through CD163-SRCR5 Blockade by PRRSV/CD163-IN-1
Thitayanuwat Prawit; Hengphasatporn Kowit; Chankhamhaen...
JOURNAL OF PHYSICAL CHEMISTRY LETTERS/16(25)/pp.6286-6292, 2025-06-13 - Evaluations of Highly Stable Derivatives of Polycyanated Tricyclic[10]annulene Anions as Efficient Halogen-Free Electrolyte for Lithium- and Sodium-Ion Batteries
Si Mrinal Kanti; Hori Yuta; Shigeta Yasuteru
CHEMPHYSCHEM/26(11), 2025-06-02 - Structural and biochemical differences between non-catalytic and catalytic antibodies
Uda Taizo; Kato Ryuichi; Shigeta Yasuteru; Hirota Shu...
MABS/17(1), 2025-12-31 - Reaction Mechanism Path Sampling Based on Parallel Cascade Selection QM/MM Molecular Dynamics Simulation: PaCS-Q
Duan Lian; HENGPHASATPORN Kowit; Harada Ryuhei; Shiget...
JOURNAL OF CHEMICAL THEORY AND COMPUTATION/21(8)/pp.4309-4318, 2025-03 - Regulatory mimicry of cyclin-dependent kinases by a conserved herpesvirus protein kinase
Koyanagi Naoto; Hengphasatporn Kowit; Kato Akihisa; No...
Proceedings of the National Academy of Sciences of the United States of America/122(16), 2025-04-22 - Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies
Sangkhawasi Mattanun; Pitaktrakul Wichuda; Khumjiang R...
Scientific reports/15(1), 2025-04-29 - Rationally designed antimicrobial peptides with high selectivity and efficiency against phytopathogenic Ralstonia solanecearum
Manik Melvalia Cristin; Darai Nitchakan; Rungrotmongkol...
The Science of the total environment/976/pp.179354-1-179354-15, 2025-05-10 - A Mild and Catalyst-Free Synthesis of Cannabidiols and Regioisomers Mediated by Fluorinated Alcohols
Yukhet Phanomsak; Faikhruea Kriangsak; Mowang Rewadee; ...
CHEMISTRY-AN ASIAN JOURNAL, 2025-04-04 - In silico analysis of inhibitor intrusion into the AQP7 channel for efficient drug design
Obata Koryo; Shigeta Yasuteru; Harada Ryuhei
CHEMISTRY LETTERS/54(4), 2025-04 - Unlocking E-arylidene Steroid Derivatives as Promising α-Glucosidase Inhibitors
Danova A.; Pattanapanyasat K.; Hengphasatporn K.; SHIG...
ChemistrySelect/9(9)/pp.e202303887-e202303887, 2024-02 - Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay
Sinsulpsiri Silpsiri; Nishii Yuji; Xu-Xu Qing-Feng; Mi...
SCIENTIFIC REPORTS/15(1), 2025-02-26 - Pseudo[3]rotaxane and [3]Rotaxane of Per(5-carboxy-5-dehydroxymethyl)-Cyclodextrins Utilizing Carboxylic Acid Dimer as Recognition Units
Nakamura Takashi; Kuwabara Masamune; Zhang Haoyang; Ok...
The Journal of Organic Chemistry/90(10)/pp.3603-3609, 2025-03 - Rational Design and Engineering of Conducting Polymers for Chemical Enhancement in Raman Scattering
Zhang Huanhuan; Dong Jun-Yu; Tang Xuke; Kishimoto Nao...
ADVANCED OPTICAL MATERIALS/Epub, 2025-01-30 - Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation
Sanachai Kamonpan; Hengphasatporn Kowit; Chamni Supaka...
COMPUTATIONAL BIOLOGY AND CHEMISTRY/115, 2025-04 - more...
- CO2 Fixation and Release Mediated by Carbonate-Based Coordination Polymers