Shigenori Tanaka 研究室

主宰者：Shigenori Tanaka

神戸大学

AI 要約（直近 5 年の研究成果）

本研究室は、水分子の構造と動的性質に関する理論的研究を中心に展開しています。特に、液体水における分子スケールでの配置や相互作用を、密度汎関数理論や分子動力学シミュレーション、そして積分方程式理論といった計算手法を組み合わせて解明しています。水分子間の多体相互作用がいかに水の特有な構造（四面体秩序）を生み出し、誘電緩和などの物理的性質に寄与するのかを定量的に明らかにする研究が行われています。同時に、水の量子的性質と脳機能の関連性についても探求しており、水分子の電気双極子場が光や音波と相互作用する過程を量子電磁力学の枠組みで理論化しています。特に神経細胞内の微小管構造における水とタンパク質の量子的な協働作用が、記憶や意識といった脳機能にどのように貢献しうるかについての仮説的モデルが提案されています。さらに、計算化学の手法を用いたドラッグデザイン研究も展開されており、タンパク質と低分子化合物の相互作用を分子ドッキングやフラグメント分子軌道法により評価し、医薬品候補化合物の探索に応用しています。これらの多角的なアプローチを通じて、基礎的な物理化学現象から応用的な医療化学まで、幅広いスケールで物質と情報の相互作用を理解することを目指しています。

※ AI（Claude）が、公開されている論文要旨から研究の問い・手法・主要な発見を事実情報として抽出・再構成して自動生成しています。誤りを含む可能性があるため、正確性は研究室公式情報でご確認ください。

外部リンク

研究成果（88 件）

[2026] Research for Analyzing Marathon Runners' Movements Automatically Extracted from Live Broadcast Footage and Proposing Methods for Dealing with Occlusion
DOI: https://doi.org/10.4287/jsprs.65.83
[2026] Understanding dielectric loss in water via distance-dependent dipole correlation functions
DOI: https://doi.org/10.1039/d5cp03962b
[2026] Role of triplet correlations in tetrahedral ordering of liquid water: a DFT–RISM study with bridge functions
DOI: https://doi.org/10.1039/d6cp01014h
[2026] Water and tryptophan qubits in neuronal microtubules: manipulating holographic information by photon supply
DOI: https://doi.org/10.1088/1402-4896/ae754f
[2025] Comprehensive Protein-Ligand Interaction Analysis: Fragment Molecular Orbital Calculation on the Complexes of Human Protease Renin and its Inhibitors
DOI: https://doi.org/10.1273/cbij.25.107
[2025] A Feasibility Study of a Non‐Professional‐Led Multi‐Component Psychosocial Support Program Incorporating Laughter and Music for People Living with Dementia and Their Families
DOI: https://doi.org/10.1002/alz70858_104279
[2025] OS05.2.A DECIPHERING THE LONGITUDINAL TRAJECTORIES OF GLIOBLASTOMA ECOSYSTEMS BY INTEGRATIVE SINGLE-CELL GENOMICS
DOI: https://doi.org/10.1093/neuonc/noaf193.050
[2025] Parametric Resonance via Neuronal Microtubules: Filtering Optical Signals by Tryptophan Qubits
DOI: https://doi.org/10.3390/quantum7030043
[2025] Application Research for Constructing Datasets and Optimizing Parameters with Deep Learning Aimed at Improving Quality of Annotation System on Soccer Players
DOI: https://doi.org/10.4287/jsprs.64.74
[2025] Waveguide Quantum Electrodynamics: Tryptophans Entangled with Water as Data Qubits in a Microtubule
DOI: https://doi.org/10.3390/dynamics5010007

続きを表示（残り 78 件）

[2025] Energy transfer and non-equipartition in nonlinearly coupled oscillators with Fermi resonance
DOI: https://doi.org/10.1016/j.cplett.2025.141889
[2025] A Structure-Based Approach for Predicting Odor Similarity of Molecules via Docking Simulations with Human Olfactory Receptors
DOI: https://doi.org/10.1021/acsomega.5c04324
[2025] RESEARCH FOR PERSON RE-IDENTIFICATION ACROSS MULTIPLE CAMERAS USING MACHINE LEARNING
DOI: https://doi.org/10.2208/jscejj.24-22011
[2024] Quantum Brain Dynamics and Virtual Reality
DOI: https://doi.org/10.1016/j.biosystems.2024.105259
[2024] Vibrational frequency fluctuations of poly(N,N-diethylacrylamide) in the vicinity of coil-to-globule transition studied by two-dimensional infrared spectroscopy and molecular dynamics simulations
DOI: https://doi.org/10.1063/5.0218180
[2024] Quantum Brain Dynamics: Optical and Acoustic Super-Radiance via a Microtubule
DOI: https://doi.org/10.3390/foundations4020019
[2024] Research for Tracking Soccer Ball using Single Video Camera
DOI: https://doi.org/10.4287/jsprs.63.180
[2024] Quantum Brain Dynamics: History and New Perspectives
DOI: https://doi.org/10.4288/kisoron.51.1-2_57
[2024] RESEARCH FOR GENERATING PARAMETRIC MODELS BASED ON EDGE ESTIMATION USING POINT CLOUD DATA OF BRIDGE
DOI: https://doi.org/10.2208/jscejj.23-22015
[2024] Research for Performance Analysis of Athletes Using Deep Learning for Marathon Broadcasting
DOI: https://doi.org/10.4287/jsprs.63.143
[2024] Manipulation of photosynthetic energy transfer by vibrational strong coupling
DOI: https://doi.org/10.1063/5.0183383
[2024] Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations
DOI: https://doi.org/10.1021/acs.jpcb.3c05564
[2024] In Silico Search for Drug Candidates Targeting the PAX8–PPARγ Fusion Protein in Thyroid Cancer
DOI: https://doi.org/10.3390/ijms25105347
[2024] Stabilization Mechanism of Initiator Transfer RNA in the Small Ribosomal Subunit from Coarse-Grained Molecular Simulations
DOI: https://doi.org/10.1021/acs.jpcb.4c04966
[2024] Non-Equilibrium Quantum Brain Dynamics: Water Coupled with Phonons and Photons
DOI: https://doi.org/10.3390/e26110981
[2024] Holographic Brain Theory: Super-Radiance, Memory Capacity and Control Theory
DOI: https://doi.org/10.3390/ijms25042399
[2024] Navigating Ultralarge Virtual Chemical Spaces with Product-of-Experts Chemical Language Models
DOI: https://doi.org/10.1021/acs.jcim.4c01214
[2023] RESEARCH FOR JUDGING ROAD BLOCKAGE CAUSED BY COLLAPSED BLOCK WALLS USING POINT CLOUD DATA
DOI: https://doi.org/10.2208/jscejj.22-22019
[2023] Research Concerning Recursive Active Learning for Segmentation of Automobile Parts
DOI: https://doi.org/10.4287/jsprs.62.4
[2023] Deciphering the Potential of Multidimensional Carbon Materials for Surface-Enhanced Raman Spectroscopy through Density Functional Theory
DOI: https://doi.org/10.1021/acs.jpclett.3c02962
[2023] Anesthetic Binding Induced Motion of GABAA Receptors Revealed by Coarse-Grained Molecular Dynamics Simulations
DOI: https://doi.org/10.1021/acs.jpcb.3c01684
[2023] End-to-end protein–ligand complex structure generation with diffusion-based generative models
DOI: https://doi.org/10.1186/s12859-023-05354-5
[2023] Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit
DOI: https://doi.org/10.1021/acs.jpclett.2c03768
[2023] Renormalization in Quantum Brain Dynamics
DOI: https://doi.org/10.3390/appliedmath3010009
[2023] Non-Equilibrium ϕ4 Theory in a Hierarchy: Towards Manipulating Holograms in Quantum Brain Dynamics
DOI: https://doi.org/10.3390/dynamics3010001
[2023] RESEARCH FOR SELF-POSITIONING CORRECTION AND GENERATION OF WIDE-AREA POINT CLOUD DATA USING SENSING UNIT MOUNTED ON CAR WITH MULTIPLE LIDAR SENSORS
DOI: https://doi.org/10.2208/jscejj.22-22018
[2023] RESEARCH FOR IMPROVING ACCURACY OF HELMET PATTERN EXTRACTION ON IDENTIFYING PEOPLE
DOI: https://doi.org/10.2208/jscejj.22-22050
[2023] RESEARCH FOR GENERATING PARAMETRIC BRIDGE MODEL USING POINT CLOUD COMPLETION
DOI: https://doi.org/10.2208/jscejj.22-22021
[2023] RESEARCH FOR COLOR CORRECTION OF ROADWAY USING IMAGES AND POINT CLOUDS FROM DIFFERENT TIME
DOI: https://doi.org/10.2208/jscejj.22-22053
[2022] RESEARCH FOR TRACKING BOTH WORKERS AND CONSTRUCTION VEHICLES CONSIDERING OCCLUSION IN CONSTRUCTION SITES
DOI: https://doi.org/10.2208/jscejcei.78.2_i_189
[2022] Atomistic Simulation Approach for Multimolecular Crowding Biosystem: Developments and Applications
DOI: https://doi.org/10.2142/biophys.62.215
[2022] Study of Player Position Acquisition Using Video Camera and LiDAR
DOI: https://doi.org/10.1299/jsmemecj.2022.j235-02
[2022] Thermal conductivity and conductance of protein in aqueous solution: Effects of geometrical shape
DOI: https://doi.org/10.1002/jcc.27048
[2022] Protein–Protein Interaction Modelling with the Fragment Molecular Orbital Method
DOI: https://doi.org/10.1007/978-1-0716-2609-2_16
[2022] RESEARCH ON AUTOMATIC CONSTRUCTION OF TRAINING DATA FOR DETECTING WORKERS AND CONSTRUCTION VEHICLES IN CONSTRUCTION SITES
DOI: https://doi.org/10.2208/jscejcei.78.2_i_179
[2022] Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand
DOI: https://doi.org/10.3390/ijms231911347
[2022] Fragment molecular orbital calculations containing Mg2+ ions: PPlase domain of Cyclophilin G
DOI: https://doi.org/10.1273/cbij.22.55
[2022] Inhibition of Melittin Activity Using a Small Molecule with an Indole Ring
DOI: https://doi.org/10.1021/acs.jpcb.2c03595
[2022] Dynamical free energy based model for quantum decision making
DOI: https://doi.org/10.1016/j.physa.2022.127979
[2022] Quantum Brain Dynamics and Holography
DOI: https://doi.org/10.3390/dynamics2020010
[2022] Protein–ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy
DOI: https://doi.org/10.1002/jcc.26940
[2022] Quantum Brain Dynamics in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1106" altimg="si4.svg"><mml:mrow><mml:mn>2</mml:mn><mml:mo linebreak="goodbreak" linebreakstyle="after">+</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:math> dimensions: Non-equilibrium analysis towards memory formations
DOI: https://doi.org/10.1016/j.physa.2022.127397
[2022] RESEARCH APPLIYING GAN TO NIGHTTIME TRAFFIC CENSUS
DOI: https://doi.org/10.2208/jscejcei.78.2_i_169
[2022] RESEARCH CONCERNING METHOD FOR RISK JUDGEMENT OF BLOCK WALL BASED ON HEIGHT AND INCLINATION
DOI: https://doi.org/10.2208/jscejcei.78.2_i_113
[2022] RESEARCH FOR ESTIMATING ERROR FACTORS AND ITS CORRECTION ON POINT CLOUD DATA WITH LIDAR SLAM IN URBAN SPACE
DOI: https://doi.org/10.2208/jscejcei.78.2_i_131
[2022] Research for Estimating Regional Attribute Based on Synonyms of Microblog Users
DOI: https://doi.org/10.2964/jsik_2022_004
[2022] Remarked suppression of Aβ 42 protomer–protomer dissociation reaction elucidated by molecular dynamics simulation
DOI: https://doi.org/10.1002/prot.26319
[2022] Computational prediction of heteromeric protein complex disassembly order using hybrid Monte Carlo/molecular dynamics simulation
DOI: https://doi.org/10.1039/d2cp00267a
[2022] Research on Removing Shadow of Field Sport Players Using GAN
DOI: https://doi.org/10.4287/jsprs.61.241
[2022] RESEARCH FOR TRAFFIC CENSUS USING SEGMENTATION OF AUTOMOBILE PARTS
DOI: https://doi.org/10.2208/jscejcei.78.2_i_158
[2022] RESEARCH FOR CORRECTION OF PERSON IDENTIFICATION USING OBJECT TRACKING TECHNOLOGY
DOI: https://doi.org/10.2208/jscejcei.78.2_i_122
[2022] RESEARCH AND DEVELOPMENT OF AUTOMATIC COLORING TECHNOLOGY FOR POINT CLOUD DATA USING GAN
DOI: https://doi.org/10.2208/jscejcei.78.2_i_150
[2022] RESEARCH FOR EXTRACTING ROAD EARTHWORK STRUCTURES USING POINT CLOUD DATA BY MMS AND LASER PROFILER
DOI: https://doi.org/10.2208/jscejcei.78.2_i_141
[2022] Research on Matching Players Before and After Occlusion for Field Sports
DOI: https://doi.org/10.4287/jsprs.61.218
[2022] Dynamical Free Energy Based Model for Quantum Decision Making
DOI: https://doi.org/10.2139/ssrn.4070806
[2021] Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses
DOI: https://doi.org/10.1039/d0sc06528e
[2021] A research for analysing characteristics of university baseball players using swing measurement unit
DOI: https://doi.org/10.1299/transjsme.20-00240
[2021] Analysis of Swing Characteristics According to Division into Nine Courses Using Baseball Swing Measurement Device
DOI: https://doi.org/10.1299/transjsme.21-00158
[2021] Elucidating microscopic events driven by GTP hydrolysis reaction in the Ras–GAP system with semi-reactive molecular dynamics simulations: the alternative role of a phosphate binding loop for mechanical energy storage
DOI: https://doi.org/10.1039/d1cp04061h
[2021] Research on Time Synchronization Between Video Cameras and Between Video Camera and GNSS for Person Measurement
DOI: https://doi.org/10.4287/jsprs.60.129
[2021] CONSTRUCTION OF SENSING UNIT MOUNTED ON A CAR AND ITS EVALUATION BY MEASUREMENT EXPERIMENTS
DOI: https://doi.org/10.2208/jscejcei.77.2_ii_58
[2021] RESEARCH ON AUTOMATIC EXTRACTION OF BLOCK WALL USING POINT CLOUD DATA
DOI: https://doi.org/10.2208/jscejcei.77.2_i_161
[2021] Improvement of the Force Field for β-d-Glucose with Machine Learning
DOI: https://doi.org/10.3390/molecules26216691
[2021] Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE2
DOI: https://doi.org/10.35848/1347-4065/ac1857
[2021] FMO calculation-based interaction analyses for complexes between RBD variant and ACE2
[2021] Estimation of Critical Current of HTS RF-SQUID
DOI: https://doi.org/10.1088/1742-6596/1975/1/012022
[2021] Dynamic Cooperativity of Ligand–Residue Interactions Evaluated with the Fragment Molecular Orbital Method
DOI: https://doi.org/10.1021/acs.jpcb.1c03043
[2021] Density-Matrix Based Scheme of Basis Selection for Linear Combination of Fragment Molecular Orbitals
DOI: https://doi.org/10.7566/jpsj.90.064301
[2021] Research on Identification of Road Features from Point Cloud Data Using Deep Learning
DOI: https://doi.org/10.20965/ijat.2021.p0274
[2021] Reaction Pathway Sampling and Free-Energy Analyses for Multimeric Protein Complex Disassembly by Employing Hybrid Configuration Bias Monte Carlo/Molecular Dynamics Simulation
DOI: https://doi.org/10.1021/acsomega.0c05579
[2021] FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method
DOI: https://doi.org/10.1021/acs.jcim.0c01062
[2021] Time series analyses of protein-ligand interaction by tensor decomposition method
[2021] IDENTIFICATION OF A PERSON WEARING A PATTERNED HELMET USING DEEP LEARNING
DOI: https://doi.org/10.2208/jscejcei.77.2_i_58
[2021] In silico modeling of PAX8–PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity
DOI: https://doi.org/10.1007/s10822-021-00381-x
[2021] Collective residue interactions in trimer complexes of SARS-CoV-2 spike proteins analyzed by fragment molecular orbital method
DOI: https://doi.org/10.35848/1882-0786/ac4300
[2021] Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation
DOI: https://doi.org/10.35848/1882-0786/abdac6
[2021] Non-equilibrium Quantum Brain Dynamics II: Formulation in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e135" altimg="si4.svg"><mml:mrow><mml:mn>3</mml:mn><mml:mo linebreak="goodbreak" linebreakstyle="after">+</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:math> dimensions
DOI: https://doi.org/10.1016/j.physa.2020.125706
[2021] Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations
DOI: https://doi.org/10.1039/d0ra09555a

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AI 要約（直近 5 年の研究成果）

外部リンク

関連研究室(8 件)

研究成果（88 件）

科研費（0 件）

所属学会・役職（0 件）