424 results on '"Takano, Yu"'
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2. Highly Sensitive Colorimetric Detection of Histidine Using Histidyl-tRNA Synthetase as the Bioreceptor
3. Molecular Dynamics
4. Structures and mechanisms of actin ATP hydrolysis
5. Semi-empirical and machine learning-based prediction of site of metabolisms mediated by aldehyde oxidase
6. Quantum chemical studies on hydrogen bonds in helical secondary structures
7. Negative fragmentation approach for investigating the depolarization effect of neighboring residues on hydrogen bonds in π-helix
8. J-shaped stress-strain diagram of collagen fibers: Frame tension of triangulated surfaces with fixed boundaries
9. Short-lived intermediate in N₂O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography
10. Development of a one-step analysis method for several amino acids using a microfluidic paper-based analytical device
11. Microfluidic Paper-Based Analytical Device for Histidine Determination
12. C–H Bond Dissociation Enthalpy Prediction with Machine Learning Reinforced Semi-empirical Quantum Mechanical Calculations
13. Hydrogen Bond Energies in Helical Peptides Investigated by Negative Fragmentation Approach with Density Functional Theory
14. Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model
15. Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins
16. Assessment of semi-empirical molecular orbital calculations for describing magnetic interactions
17. Direct Interaction between the Voltage Sensors Produces Cooperative Sustained Deactivation in Voltage-gated H+ Channel Dimers
18. FIRST-PRINCIPLES ELECTRONIC STRUCTURE CALCULATION AND MOLECULAR DYNAMICS SIMULATION
19. Computational Exploration of Minimum Energy Reaction Pathway of N 2 O Formation from Intermediate I of P450nor Using an Active Center Model.
20. Random Forest Classifier of Heme Proteins Using Porphyrin Distortions and Axial Ligands of Heme
21. Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study
22. Efficient conformational sampling of proteins based on a multi-dimensional TaBoo SeArch algorithm: An application to folding of chignolin in explicit solvent
23. Recycling of biodiesel fuel wastewater for use as a liquid fertilizer for hydroponics
24. Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase
25. Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters
26. Development of serial X-ray fluorescence holography for radiation-sensitive protein crystals
27. Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network
28. Consideration of Transfer learning for evaluating seismic damage of equipment in buildings
29. Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations
30. Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network
31. Mg2+-dependent Interactions of ATP with the Cystathionine-β-Synthase (CBS) Domains of a Magnesium Transporter
32. Conformational Preference of Flavonols and Its Effect on the Chemical Properties Involved in Radical Scavenging Activity
33. Effects of Light-emitting Diode Irradiation Pattern on the Anthocyanin Content of Broccoli Sprouts in a Plant Factory for the Production of Functional Foods
34. Coordination effects on the electronic structure of the CuA site of cytochrome c oxidase
35. Elucidation of the Correlation between Heme Distortion and Tertiary Structure of the Heme-Binding Pocket Using a Convolutional Neural Network
36. Depolarizing Effects in Hydrogen Bond Energy in 310-Helices Revealed by Quantum Chemical Analysis
37. Structure of Heme-binding Pocket in Heme Protein is Generally Rigid and can be Predicted by AlphaFold2
38. Evaluation of an Appropriate Standard Hydrogen Electrode Potential for Computing Redox Potentials of Catechins with Density Functional Theory
39. Electronic structures of a [4Fe–4S] cluster, [Fe 4S 4(SCH 3) 3(CH 3COO)], in dark-operative protochlorophyllide oxidoreductase (DPOR)
40. Predicting Reaction Mechanisms for the Threonine-Residue Stereoinversion Catalyzed by a Dihydrogen Phosphate Ion
41. QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of Urease
42. Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket
43. Analysis of Fluctuation in the Heme-Binding Pocket and Heme Distortion in Hemoglobin and Myoglobin
44. Analysis of Fluctuation in the Heme-Binding Pocket and Heme Distortion in Hemoglobin and Myoglobin
45. Theoretical studies of the magnetic couplings and the chemical indices of the biomimetic models of oxyhemocyanin and oxytyrosinase
46. Global analysis of heme proteins elucidates the correlation between heme distortion and heme-binding pocket
47. Theoretical analysis of the electronic asymmetry of the special pair in the photosynthetic reaction center: Effect of structural asymmetry and protein environment
48. Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography
49. Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters
50. Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase
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