Shigenori Tanaka

ResearcherID Researcher Name Resolver ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 39

Top Topics

Hiv Infected Patients

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

International journal of molecular sciences

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
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. The journal of physical chemistry. B 128 (10) (2024)
Akihiro Nishiyama, Shigenori Tanaka, Jack Adam Tuszynski, Roumiana Tsenkova
Holographic Brain Theory: Super-Radiance, Memory Capacity and Control Theory. International journal of molecular sciences 25 (4) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
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. The journal of physical chemistry. B 128 (10) (2024)
Kaori Sakaguchi, Yoshio Okiyama, Shigenori Tanaka
In Silico Search for Drug Candidates Targeting the PAX8-PPARγ Fusion Protein in Thyroid Cancer. International journal of molecular sciences 25 (10) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
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. The journal of physical chemistry. B 128 (10) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
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. The journal of physical chemistry. B (2024)
Akihiro Nishiyama, Shigenori Tanaka, Jack Adam Tuszynski, Roumiana Tsenkova
Holographic Brain Theory: Super-Radiance, Memory Capacity and Control Theory. International journal of molecular sciences 25 (4) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
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. The journal of physical chemistry. B 128 (10) (2024)
Kaori Sakaguchi, Yoshio Okiyama, Shigenori Tanaka
In Silico Search for Drug Candidates Targeting the PAX8-PPARγ Fusion Protein in Thyroid Cancer. International journal of molecular sciences 25 (10) (2024)
Akihiro Nishiyama, Shigenori Tanaka, Jack Adam Tuszynski, Roumiana Tsenkova
Holographic Brain Theory: Super-Radiance, Memory Capacity and Control Theory. International journal of molecular sciences 25 (4) (2024)
Kaori Sakaguchi, Yoshio Okiyama, Shigenori Tanaka
In Silico Search for Drug Candidates Targeting the PAX8-PPARγ Fusion Protein in Thyroid Cancer. International journal of molecular sciences 25 (10) (2024)
Shuya Nakata, Yoshiharu Mori, Shigenori Tanaka
Anesthetic Binding Induced Motion of GABA A Receptors Revealed by Coarse-Grained Molecular Dynamics Simulations. The journal of physical chemistry. B (2023)
Shuya Nakata, Yoshiharu Mori, Shigenori Tanaka
End-to-end protein-ligand complex structure generation with diffusion-based generative models. BMC bioinformatics 24 (1) (2023)
Xuke Tang, Naoki Kishimoto, Yasutaka Kitahama, Ting-Ting You, Motoyasu Adachi, Yasuteru Shigeta, Shigenori Tanaka, Ting-Hui Xiao, Keisuke Goda
Deciphering the Potential of Multidimensional Carbon Materials for Surface-Enhanced Raman Spectroscopy through Density Functional Theory. The journal of physical chemistry letters (2023)
Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, Hitomi Yuki, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Kaori Fukuzawa, Teruki Honma
Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit. The journal of physical chemistry letters (2023)
Kenichiro Takaba, Chiduru Watanabe, Atsushi Tokuhisa, Yoshinobu Akinaga, Biao Ma, Ryo Kanada, Mitsugu Araki, Yasushi Okuno, Yusuke Kawashima, Hirotomo Moriwaki, Norihito Kawashita, Teruki Honma, Kaori Fukuzawa, Shigenori Tanaka
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy. Journal of computational chemistry 43 (20) (2022)
Ikuo Kurisaki, Shigenori Tanaka
Computational prediction of heteromeric protein complex disassembly order using hybrid Monte Carlo/molecular dynamics simulation. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Sayuki Kanemitsu, Kenta Morita, Yudai Tominaga, Kanon Nishimura, Tomoko Yashiro, Haruka Sakurai, Yumemi Yamamoto, Ikuo Kurisaki, Shigenori Tanaka, Masaki Matsui, Tooru Ooya, Atsuo Tamura, Tatsuo Maruyama
Inhibition of Melittin Activity Using a Small Molecule with an Indole Ring. The journal of physical chemistry. B 126 (31) (2022)
Masayasu Fujii, Shigenori Tanaka
Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand. International journal of molecular sciences 23 (19) (2022)
Ikuo Kurisaki, Shigenori Tanaka
Remarked suppression of Aβ 42 protomer-protomer dissociation reaction elucidated by molecular dynamics simulation. Proteins 90 (7) (2022)
Ikuo Kurisaki, Seiya Tanaka, Ichiro Mori, Toshihito Umegaki, Yoshiharu Mori, Shigenori Tanaka
Thermal conductivity and conductance of protein in aqueous solution: Effects of geometrical shape. Journal of computational chemistry (2022)
Ikuo Kurisaki, Shigenori Tanaka
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. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Kaori Sakaguchi, Yoshio Okiyama, Shigenori Tanaka
In silico modeling of PAX8-PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity. Journal of computer-aided molecular design 35 (5) (2021)
Chiduru Watanabe, Yoshio Okiyama, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma
Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses. Chemical science 12 (13) (2021)
Shigenori Tanaka, Shusuke Tokutomi, Ryo Hatada, Koji Okuwaki, Kazuki Akisawa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Yuji Mochizuki
Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method. The journal of physical chemistry. B 125 (24) (2021)
Makoto Ikejo, Hirofumi Watanabe, Kohei Shimamura, Shigenori Tanaka
Improvement of the Force Field for β-d-Glucose with Machine Learning. Molecules (Basel, Switzerland) 26 (21) (2021)
Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka
Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations. RSC advances 11 (6) (2021)
Daisuke Takaya, Chiduru Watanabe, Shunpei Nagase, Kikuko Kamisaka, Yoshio Okiyama, Hirotomo Moriwaki, Hitomi Yuki, Tomohiro Sato, Noriyuki Kurita, Yoichiro Yagi, Tatsuya Takagi, Norihito Kawashita, Kenichiro Takaba, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. Journal of chemical information and modeling 61 (2) (2021)
Naoki Sugimoto, Tatsuya Ohyama, Takahiro Muraoka, Shigenori Tanaka, Kazushi Kinbara, Naoki Sugimoto
New Modified Deoxythymine with Dibranched Tetraethylene Glycol Stabilizes G-Quadruplex Structures. Molecules (Basel, Switzerland) 25 (3) (2020)
Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7). Journal of chemical information and modeling 60 (7) (2020)
Toshihito Umegaki, Shigenori Tanaka
Nanoscale Quantum Thermal Conductance at Water Interface: Green's Function Approach Based on One-Dimensional Phonon Model. Molecules (Basel, Switzerland) 25 (5) (2020)
Akihiro Nishiyama, Shigenori Tanaka, Jack Adam Tuszynski
Non-Equilibrium Quantum Electrodynamics in Open Systems as a Realizable Representation of Quantum Field Theory of the Brain. Entropy (Basel, Switzerland) 22 (1) (2019)
Ikuo Kurisaki, Shigenori Tanaka
ATP Converts Aβ42 Oligomer into Off-Pathway Species by Making Contact with Its Backbone Atoms Using Hydrophobic Adenosine. The journal of physical chemistry. B 123 (46) (2019)
Yoshio Okiyama, Tatsuya Nakano, Chiduru Watanabe, Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: Implementation and DNA Study. The journal of physical chemistry. B 122 (16) (2018)
Yoshio Okiyama, Chiduru Watanabe, Kaori Fukuzawa, Yuji Mochizuki, Tatsuya Nakano, Shigenori Tanaka
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies. The journal of physical chemistry. B 123 (5) (2018)
Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Shigenori Tanaka
Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. Journal of computational chemistry 40 (2) (2018)
Fengqi Xu, Shigenori Tanaka, Hirofumi Watanabe, Yasuhiro Shimane, Misako Iwasawa, Kazue Ohishi, Tadashi Maruyama
Computational Analysis of the Interaction Energies between Amino Acid Residues of the Measles Virus Hemagglutinin and Its Receptors. Viruses 10 (5) (2018)
Shota Uehara, Shigenori Tanaka
Cosolvent-Based Molecular Dynamics for Ensemble Docking: Practical Method for Generating Druggable Protein Conformations. Journal of chemical information and modeling 57 (4) (2017)
Chiduru Watanabe, Hirofumi Watanabe, Kaori Fukuzawa, Lorien J Parker, Yoshio Okiyama, Hitomi Yuki, Shigeyuki Yokoyama, Hirofumi Nakano, Shigenori Tanaka, Teruki Honma
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach. Journal of chemical information and modeling 57 (12) (2017)