SHIGETA Yasuteru
- Refereed academic journal/Refereed international conference paper
- Comprehensive predictions of secondary structures for comparative analysis in different species
Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
Journal of structural biology/213(2), 2021-06-01 - Alkyne-Tagged Apigenin, a Chemical Tool to Navigate Potential Targets of Flavonoid Anti-Dengue Leads
Hengphasatporn Kowit; Kaewmalai Benyapa; Jansongsaeng ...
MOLECULES/26(22), 2021-11 - Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region
Xie Cheng; Shimoyama Hiromitsu; Yamanaka Masaru; Nagao...
RSC ADVANCES/11(59)/pp.37604-37611, 2021-11 - Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation
Li Zi; Yang Yong; Xu Tianlv; Fruchtl Herbert; van Mou...
JOURNAL OF COMPUTATIONAL CHEMISTRY/43(3)/pp.206-214, 2022-01 - On-Demand Chirality Transfer of Human Serum Albumin to Bis(thiophen-2-yl)hexafluorocyclopentenes through Their Photochromic Ring Closure
Saeki Yuri; Kayanuma Megumi; Nitta Aki; Shigeta Yasut...
JOURNAL OF ORGANIC CHEMISTRY/86(18)/pp.12549-12558, 2021-09 - A post-process to estimate an approximated minimal free energy path based on local centroids
Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
CHEMICAL PHYSICS LETTERS/782, 2021-11 - Estimation of the relative contributions to the electronic energy transfer rates based on Forster theory: The case of C-phycocyanin chromophores
Mishima Kenji; Shoji Mitsuo; Umena Yasufumi; Boero Ma...
Biophysics and physicobiology/18/pp.196-214, 2021 - Independent Nontargeted Parallel Cascade Selection Molecular Dynamics (Ino-PaCS-MD) to Enhance the Conformational Sampling of Proteins
Yasuda Takunori; Morita Rikuri; Shigeta Yasuteru; Harada ...
JOURNAL OF CHEMICAL THEORY AND COMPUTATION/17(9)/pp.5933-5943, 2021-09 - In silico mutational analyses reveal different ligand-binding abilities of double pockets of medaka fish taste receptor type 1 essential for efficient taste recognition
Aida Hayato; Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/23(36)/pp.20398-20405, 2021-09 - Phosphorylation in the accessory domain of yeast histone chaperone protein 1 exposes the nuclear export signal sequence
Ashida Sho; Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS/Epub, 2021-09 - Integrate in silico studies on the role of nicotinamide adenine dinucleotide (NADH) binding in activating C-terminal binding protein 2 (CtBP2)
Tsukasa Aoyagi; Yoshino Ryunosuke; Yuki Mitsuta; Rikuri ...
Chemistry Letters/51(1)/pp.1-4, 2021-10 - Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate
Dekura Shun; Sunairi Yoshiya; Okamoto Kei; Takeiri Fumit...
Solid State Ionics/372/p.115775, 2021-12 - Could London Dispersion Force Control Regioselective (2+2) Cyclodimerizations of Benzynes? YES: Application to the Synthesis of Helical Biphenylenes
Ikawa Takashi; Yamamoto Yuta; Heguri Akito; Fukumoto ...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY/143(29)/pp.10853-10859, 2021-07 - Control of chirality, bond flexing and anharmonicity in an electric field
Li Zi; Nie Xing; Xu Tianlv; Li Shuman; Yang Yong; Fr...
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY/121(22), 2021-11 - Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons
Xu Tianlv; Nie Xing; Li Shuman; Yang Yong; Fruchtl H...
CHEMPHYSCHEM/22(19)/pp.1989-1995, 2021-10 - pyProGA-A PyMOL plugin for protein residue network analysis
Sladek Vladimir; Yamamoto Yuta; Harada Ryuhei; Shoji ...
PLOS ONE/16(7), 2021-07 - Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification
Deetanya Peerapon; Hengphasatporn Kowit; Wilasluck Pat...
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL/19/pp.3364-3371, 2021 - Ion-pairing pi-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins
Sasano Yoshifumi; Tanaka Hiroki; Haketa Yohei; Kobayas...
CHEMICAL SCIENCE/12(28)/pp.9645-9657, 2021-07 - Comparison between the Light-Harvesting Mechanisms of Type-I Photosynthetic Reaction Centers of Heliobacteria and Photosystem I: Pigment Site Energy Distribution and Exciton State
Kimura Akihiro; Kitoh-Nishioka Hirotaka; Shigeta Yasut...
JOURNAL OF PHYSICAL CHEMISTRY B/125(15)/pp.3727-3738, 2021-04 - Comprehensive Analysis of Intrinsically Disordered Regions to Elucidate Their Physical Properties using a Modified Parameter
Aida Hayato; Harada Ryuhei; Shigeta Yasuteru; Tomii K...
BIOPHYSICAL JOURNAL/120(3::1)/pp.216A-216A, 2021-02 - 環状ペプチドの膜透過における溶媒和自由エネルギー計算
栁 昂輝; 原田 隆平; 満田 祐樹; 重田育照
Journal of Computational Chemistry Japan/19(4)/pp.125-127, 2021-03 - Rearrangements of Water Molecules in Parallel Cascade Selection Molecular Dynamics Enhance Structural Explorations of Proteins
Morita Rikuri; Shigeta Yasuteru; Harada Ryuhei
Bulletin of the Chemical Society of Japan/94(1)/pp.97-105, 2021-01 - Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics
Hori Yuta; Dekura Shun; Sunairi Yoshiya; Ida Tomonori; Mi...
The Journal of Physical Chemistry Letters/12(22)/pp.5390-5394, 2021-06 - Enhanced Conformational Sampling Method Based on Anomaly Detection Parallel Cascade Selection Molecular Dynamics: ad-PaCS-MD
Harada Ryuhei; Yamaguchi Kota; Shigeta Yasuteru
Journal of chemical theory and computation/16(10)/pp.6716-6725, 2020-10 - Conformation-Changeable π-Electronic Systems with Metastable Bent-Core Conformations and Liquid-Crystalline-State Electric-Field-Responsive Properties
Nakamura Kazuto; Sugiura Shinya; Araoka Fumito; Aya S...
Organic letters/23(2)/pp.305-310, 2021-01 - more...
- Comprehensive predictions of secondary structures for comparative analysis in different species