Faculty Information - TAKANO Yu |

TAKANO Yu

Department / Course

Hiroshima City University Graduate School Graduate School of Information Sciences Major in Biomedical Information Sciences

Hiroshima City University Faculty of Information Sciences Department of Biomedical Information Sciences

Job Professor

Academic conference presentation
2025/04/25	Quantum chemical analysis of noncovalent interactions in protein secondary structures using Negative Fragmentation Approach (APATCC11)
2025/04/25	Quantum chemical evaluation of noncovalent interactions in proteins using the combination of ONIOM method and negative fragmentation approach including counterpoise correction (APATCC11)
2024/08/28	Evaluation of intramolecular interactions with negative fragmentation approach including basis-set superposition error correction (International Congress on Pure & Applied Chemistry Mongolia (ICPAC Mongolia) 2024)
2024/07/08	Counterpoise correction of basis set superposition error (BSSE) in the negative fragmentation approach (NFA) (International Workshop on Hyperordered Structures and Quantum Materials)
2024/06/28	Computational estimation of the free energy change of peptide-bond rotation induced by reduction of “plant-type” ferredoxin (21st International Union for Pure and Applied Biophysics and 62nd Biophysics Society of Japan (IUPAB 2024))
2024/06/26	Hydrogen bond energies in helical secondary structures dissected by negative fragmentation approach and density functional theory (21st International Union for Pure and Applied Biophysics and 62nd Biophysics Society of Japan (IUPAB 2024))
2024/05/13	Development of machine learning web application for computer-aided synthesis of PSQ-based RO membrane (The 20th International Symposium on Silicon Chemistry and the 9th Asian Silicon Symposium)
2023/11/14	Analysis of structure-function correlation in the active sites of heme proteins
2023/09/15	Effects of Reduction of a Plant-Type Ferredoxin [2Fe-2S] Active Center on Its Structure and Dynamics with Molecular Dynamics Simulations (International Congress on Pure & Applied Chemistry Bali 2023)
2023/09/14	Quantum Chemical and Statistical Analysis of Hemeproteins (International Congress on Pure & Applied Chemistry Bali 2023)
2023/09/07	Computational estimation of the activation energy for the peptide-bond flip induced by active-center reduction of plant-type ferredoxin (The 5th Conference of Theory and Applications of Computational Chemistry)
2023/09/05	Characterization of P450nor by using statistical analysis and quantum chemical calculation (The 5th Conference of Theory and Applications of Computational Chemistry)
2023/09/05	Prediction of Heme Protein Function with Random Forest Classifier Based on Porphyrin Distortions and Axial Ligands of Heme (The 5th Conference of Theory and Applications of Computational Chemistry)
2023/08/07	Structural Analysis of the Oxidized and Reduced Plant-Type Ferredoxin Using Long-Time Molecular Dynamics Simulations (34th IUPAP Conference on Computational Physics)
2023/05/23	Computational study of the effect of active-center reduction on the structure of plant-type ferredoxin (788. WE-Heraeus-Seminar)
2022/12/05	The minimum pathway search of the F-actin ATPase reaction (7th Japan-Thai workshop on Theoretical and Computational Chemistry 2022)
2022/12/02	Theoretical analysis of H/D isotope effects on molecular structure and the spectroscopy (7th International Symposium of Quantum Beam Science (ISQBS2022))
2022/11/30	Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations (10th Asian Biological Inorganic Chemistry Conference)
2022/11/29	Computational Study of Metal Centers in Proteins (10th Asian Biological Inorganic Chemistry Conference)
2022/11/27	Depolarizing effects in hydrogen bond energy in 310-helices revealed by quantum chemical analysis (International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC Kota Kinabalu) 2022)
2022/09/30	Computational analysis on the effects of active-site reduction on structures and dynamics of plant-type ferredoxin (第60回日本生物物理学会年会)
2022/06/08	Computational studies on the structural analysis of the plant-type ferredoxin (第22回日本蛋白質科学会年会)
2022/06/08	Evaluation of free energy profiles for reactions catalyzed by metalloproteins (第22回日本蛋白質科学会年会)
2021/11/25	Computational study of the structural-function relationship of heme proteins (第59回日本生物物理学会年会)
2020/09/17	Analysis of an effect of mutations on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG16 (第58回日本生物物理学会年会)
2020/09/16	PyDISH: Database and analysis tools for heme porphyrin distortion in heme proteins (第58回日本生物物理学会年会)
2019/09/24	Analysis of effect of mutation on the response for membrane depolarization in the voltage-gated potassium channel Kv1.2 (第57回日本生物物理学会年会)
2019/09/24	Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a negative fragmentation approach (第57回日本生物物理学会年会)
2019/08/06	Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a negative fragmentation approach (International Congress on Pure & Applied Chemistry Langkawi (ICPAC Langkawi) 2018)
2019/02/04	Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins (Symposium on 3D Active-site Science in London)
2018/12/03	Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: .Differences between oxidoreductases and oxygen carrier proteins (Asian Biophysics Association Symposium and Annual Meeting of the Australian Society for Biophysics)
2018/10/31	Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme protein: Differences between oxidoreductases and oxygen carrier proteins (International Congress on Pure & Applied Chemistry Langkawi (ICPAC Langkawi) 2018)
2018/09/17	Global analysis of the protein environment around heme in hemeproteins (第56回日本生物物理学会年会)
2018/09/15	Molecular dynamics study of structural changes in CDR-H3 of anti-HIV antibodies PG9 and PG16 (第56回日本生物物理学会年会)
2018/09/15	Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme protein (第56回日本生物物理学会年会)
2018/08/31	The ATP hydrolysis mechanism of fibrous actin (47th European Muscle Conference 2018)
2018/08/02	Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: differences between oxidoreductases and oxygen carrier proteins (43rd International Conference on Coordination Chemistry)
2018/08/02	Transition State Search Using rPM6 Method: Applications to Oxidation Reactions Catalyzed by Transition Metal Complexes (43rd International Conference on Coordination Chemistry)
2018/06/28	ONIOM study of the Sialyltransferase Reaction Mechanism
2018/06/28	Molecular dynamics study on the mechanism of voltage dependent inactivation in a mutant of the voltage-gated potassium channel
2018/06/27	Molecular dynamics study of structural changes in anti-HIV antibody PG9 and PG16
2018/03/23	Reaction Mechanism of Aromatic Oxidation Reactions by A Bis(µ-oxido)dinickel(III) Complex (日本化学会第98春季年会)
2018/03/23	Reaction Properties of A Bis(µ-oxido)dinickel(III) Complex toward Aliphatic C–H Bonds (日本化学会第98春季年会)
2018/03/20	Applications of the semi-empirical rPM6 method to chemical reactions catalyzed by transition metal containing complexes (日本化学会第98春季年会)
2017/10/03	Molecular dynamics study of mutation effects on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG16 (Swedish-Japanese Workshop on Nano-Structure Science by Novel Light Sources)
2017/10/02	Elucidation of Structure–Function Relationship of Biological Active Sites and New Material Design by Molecular Simulation (Swedish-Japanese Workshop on Nano-Structure Science by Novel Light Sources)
2017/09/21	Statistical and quantum-chemical analysis of heme distortion in hemoprotein (第55回日本生物物理学会年会)
2017/09/20	Molecular dynamics study of a distant mutation effect on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG16 (第55回日本生物物理学会年会)
2017/09/19	Molecular dynamics study of kinetics of the voltage-gated proton channel VSOP/Hv1 under electric fields (第55回日本生物物理学会年会)
2017/08/28	Reparameterization of PM6 Parameters for Manganese and Applications to Binuclear Manganese Complexes (WATOC2017)
2017/08/24	Spectrophotometric Detection of Histidine Using Enzyme Reaction and Examination of Reaction Conditions (19th International Conference on Chemical, Biological and Environmental Engineering,)
2017/08/23	Lysine and histidine sensing with enzymatic reactions and its application to biosensor for amino acids (1st European Conference on Chemistry of Two-Dimensional Materials,)
2017/02/20	Molecular dynamics study of the structural stability of CDR-H3 of anti-HIV neutralizing antibody PG16 (The 57th Sanibel symposium)
2017/02/20	Reparameterization of PM6 applied to through-bond and through-space magnetic Interactions (The 57th Sanibel symposium)
2016/11/25	A detailed analysis of the binding mode of a zinc ion to the voltage‐gated proton channel VSOP/Hv1 (第54回日本生物物理学会年会)
2016/11/25	Elucidation of structure–function relationship of biological active sites by molecular simulation (第54回日本生物物理学会年会)
2016/11/25	Molecular dynamics study of the structural rigidity of CDR-H3 of anti-HIV neutralizing antibody PG16 (第54回日本生物物理学会年会)
2016/11/25	Statistical analysis of heme distortion in protein (第54回日本生物物理学会年会)
2016/03/10	Recycling Wastewater from Biodiesel Fuel Production Process to Liquid Fertilizer for Hydroponic (The 3rd International Scientific Conference on Material Cycles and Waste Management (3RINCs))
2015/12/19	Simple, yet powerful conformational sampling methodologies for protein (Pacifichem 2015)
2015/10/15	Theoretical Analysis of the Electronic Asymmetry of the Special Pair Cation Radical in the Photosynthetic Reaction Center (6th JCS International Symposium on Theoretical Chemistry)
2015/09/15	Quantum chemical study for interactions in protein secondary structures via Molecular Tailoring Approach (第53回生物物理学会年会)
2015/09/13	Computational Study of Structural Effects on Redox Potential of Hemes (第53回生物物理学会年会)
2015/09/13	Molecular dynamics simulations of the effect of zinc on the voltage-gated proton channel VSOP (第53回生物物理学会年会)
2015/09/13	Theoretical study of the relationship between heme distortion and redox potential (第53回生物物理学会年会)
2015/04/24	Computational Study of the Relationship between Heme Distortion and Redox Potential (588. WE-Heraeus-Seminar on Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer)