Nobuyuki Matubayasi

Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 91

Top Topics

Escherichia Coli

Top Venues

The journal of physical chemistry. B

Langmuir : the ACS journal of surfaces and colloids

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

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

Publications

Seishi Shimizu, Nobuyuki Matubayasi
Replacing the Langmuir Isotherm with the Statistical Thermodynamic Fluctuation Theory. The journal of physical chemistry letters (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Synergistic Solvation as the Enhancement of Local Mixing. The journal of physical chemistry. B 128 (23) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Replacing the Langmuir Isotherm with the Statistical Thermodynamic Fluctuation Theory. The journal of physical chemistry letters 15 (13) (2024)
Tuan Minh Do, Dominik Horinek, Nobuyuki Matubayasi
How ATP suppresses the fibrillation of amyloid peptides: analysis of the free-energy contributions. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Tuan Minh Do, Dominik Horinek, Nobuyuki Matubayasi
How ATP suppresses the fibrillation of amyloid peptides: analysis of the free-energy contributions. Physical chemistry chemical physics : PCCP (2024)
Tuan Minh Do, Dominik Horinek, Nobuyuki Matubayasi
How ATP suppresses the fibrillation of amyloid peptides: analysis of the free-energy contributions. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Actual Amount Adsorbed as Estimated from the Surface Excess Isotherm. Langmuir : the ACS journal of surfaces and colloids 40 (3) (2024)
Yumi Yakiyama, Minghong Li, Dongyi Zhou, Tsuyoshi Abe, Chisato Sato, Kohei Sambe, Tomoyuki Akutagawa, Teppei Matsumura, Nobuyuki Matubayasi, Hidehiro Sakurai
Biased Bowl-Direction of Monofluorosumanene in the Solid State. Journal of the American Chemical Society 146 (8) (2024)
Kazuya Okita, Natsuumi Ito, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi
Solvation dynamics on the diffusion timescale elucidated using energy-represented dynamics theory. Physical chemistry chemical physics : PCCP (2024)
Yumi Yakiyama, Minghong Li, Dongyi Zhou, Tsuyoshi Abe, Chisato Sato, Kohei Sambe, Tomoyuki Akutagawa, Teppei Matsumura, Nobuyuki Matubayasi, Hidehiro Sakurai
Biased Bowl-Direction of Monofluorosumanene in the Solid State. Journal of the American Chemical Society 146 (8) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Actual Amount Adsorbed as Estimated from the Surface Excess Isotherm. Langmuir : the ACS journal of surfaces and colloids (2024)
Yumi Yakiyama, Minghong Li, Dongyi Zhou, Tsuyoshi Abe, Chisato Sato, Kohei Sambe, Tomoyuki Akutagawa, Teppei Matsumura, Nobuyuki Matubayasi, Hidehiro Sakurai
Biased Bowl-Direction of Monofluorosumanene in the Solid State. Journal of the American Chemical Society 146 (8) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Synergistic Solvation as the Enhancement of Local Mixing. The journal of physical chemistry. B 128 (23) (2024)
Takuma Yagasaki, Nobuyuki Matubayasi
High Antifouling Performance of Weakly Hydrophilic Polymer Brushes: A Molecular Dynamics Study. Langmuir : the ACS journal of surfaces and colloids 40 (29) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption Hysteresis: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids 40 (22) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Replacing the Langmuir Isotherm with the Statistical Thermodynamic Fluctuation Theory. The journal of physical chemistry letters 15 (13) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption Hysteresis: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids 40 (22) (2024)
Kazuya Okita, Natsuumi Ito, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi
Solvation dynamics on the diffusion timescale elucidated using energy-represented dynamics theory. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Replacing the Langmuir Isotherm with the Statistical Thermodynamic Fluctuation Theory. The journal of physical chemistry letters 15 (13) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Actual Amount Adsorbed as Estimated from the Surface Excess Isotherm. Langmuir : the ACS journal of surfaces and colloids 40 (3) (2024)
Yumi Yakiyama, Minghong Li, Dongyi Zhou, Tsuyoshi Abe, Chisato Sato, Kohei Sambe, Tomoyuki Akutagawa, Teppei Matsumura, Nobuyuki Matubayasi, Hidehiro Sakurai
Biased Bowl-Direction of Monofluorosumanene in the Solid State. Journal of the American Chemical Society (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption Hysteresis: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids 40 (22) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Actual Amount Adsorbed as Estimated from the Surface Excess Isotherm. Langmuir : the ACS journal of surfaces and colloids 40 (3) (2024)
Takuma Yagasaki, Nobuyuki Matubayasi
High Antifouling Performance of Weakly Hydrophilic Polymer Brushes: A Molecular Dynamics Study. Langmuir : the ACS journal of surfaces and colloids (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Synergistic Solvation as the Enhancement of Local Mixing. The journal of physical chemistry. B (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Synergistic Solvation as the Enhancement of Local Mixing. The journal of physical chemistry. B 128 (23) (2024)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption Hysteresis: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids (2024)
Kazuya Okita, Natsuumi Ito, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi
Solvation dynamics on the diffusion timescale elucidated using energy-represented dynamics theory. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Stefan Hervø-Hansen, Daoyang Lin, Kento Kasahara, Nobuyuki Matubayasi
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects. Chemical science 15 (2) (2023)
Himadri Sekhar Sarkar, Takato Mashita, Toshiyuki Kowada, Satoshi Hamaguchi, Toshizo Sato, Kento Kasahara, Nobuyuki Matubayasi, Toshitaka Matsui, Shin Mizukami
Arylazopyrazole-Based Photoswitchable Inhibitors Selective for Escherichia coli Dihydrofolate Reductase. ACS chemical biology (2023)
Stefan Hervø-Hansen, Daoyang Lin, Kento Kasahara, Nobuyuki Matubayasi
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects. Chemical science 15 (2) (2023)
Seishi Shimizu, Nobuyuki Matubayasi
Cooperativity in Sorption Isotherms. Langmuir : the ACS journal of surfaces and colloids (2023)
Himadri Sekhar Sarkar, Takato Mashita, Toshiyuki Kowada, Satoshi Hamaguchi, Toshizo Sato, Kento Kasahara, Nobuyuki Matubayasi, Toshitaka Matsui, Shin Mizukami
Arylazopyrazole-Based Photoswitchable Inhibitors Selective for Escherichia coli Dihydrofolate Reductase. ACS chemical biology 18 (2) (2023)
Kokoro Shikata, Takuma Kikutsuji, Nobuhiro Yasoshima, Kang Kim, Nobuyuki Matubayasi
Revealing the hidden dynamics of confined water in acrylate polymers: Insights from hydrogen-bond lifetime analysis. The Journal of chemical physics 158 (17) (2023)
Shota Goto, Kang Kim, Nobuyuki Matubayasi
Unraveling the Glass-like Dynamic Heterogeneity in Ring Polymer Melts: From Semiflexible to Stiff Chain. ACS polymers Au 3 (6) (2023)
Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi
Diffusion theory of molecular liquids in the energy representation and application to solvation dynamics. The Journal of chemical physics 157 (24) (2023)
Himadri Sekhar Sarkar, Takato Mashita, Toshiyuki Kowada, Satoshi Hamaguchi, Toshizo Sato, Kento Kasahara, Nobuyuki Matubayasi, Toshitaka Matsui, Shin Mizukami
Arylazopyrazole-Based Photoswitchable Inhibitors Selective for Escherichia coli Dihydrofolate Reductase. ACS chemical biology 18 (2) (2023)
Takuma Yagasaki, Nobuyuki Matubayasi
Molecular Dynamics Study of the Antifouling Mechanism of Hydrophilic Polymer Brushes. Langmuir : the ACS journal of surfaces and colloids (2023)
Himadri Sekhar Sarkar, Takato Mashita, Toshiyuki Kowada, Satoshi Hamaguchi, Toshizo Sato, Kento Kasahara, Nobuyuki Matubayasi, Toshitaka Matsui, Shin Mizukami
Arylazopyrazole-Based Photoswitchable Inhibitors Selective for Escherichia coli Dihydrofolate Reductase. ACS chemical biology 18 (2) (2023)
Seishi Shimizu, Nobuyuki Matubayasi
Understanding Sorption Mechanisms Directly from Isotherms. Langmuir : the ACS journal of surfaces and colloids (2023)
Shota Goto, Kang Kim, Nobuyuki Matubayasi
Unraveling the Glass-like Dynamic Heterogeneity in Ring Polymer Melts: From Semiflexible to Stiff Chain. ACS polymers Au 3 (6) (2023)
Kento Kasahara, Ren Masayama, Kazuya Okita, Nobuyuki Matubayasi
Elucidating protein-ligand binding kinetics based on returning probability theory. The Journal of chemical physics 159 (13) (2023)
Himadri Sekhar Sarkar, Takato Mashita, Toshiyuki Kowada, Satoshi Hamaguchi, Toshizo Sato, Kento Kasahara, Nobuyuki Matubayasi, Toshitaka Matsui, Shin Mizukami
Arylazopyrazole-Based Photoswitchable Inhibitors Selective for Escherichia coli Dihydrofolate Reductase. ACS chemical biology 18 (2) (2023)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption from Solution: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids (2023)
Seishi Shimizu, Nobuyuki Matubayasi
Surface Area Estimation: Replacing the Brunauer-Emmett-Teller Model with the Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids 38 (26) (2022)
Senri Tanaka, Naoki Yamamoto, Kento Kasahara, Yoshiki Ishii, Nobuyuki Matubayasi
Crystal Growth of Urea and Its Modulation by Additives as Analyzed by All-Atom MD Simulation and Solution Theory. The journal of physical chemistry. B 126 (28) (2022)
Makoto Suzuki, Akira Tsuchiko, Yoshiyuki Tanaka, Nobuyuki Matubayasi, George Mogami, Nobuyuki Uozumi, Satoshi Takahashi
Hyper-mobile Water and Raman 2900 cm -1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water. The journal of physical chemistry. B 127 (1) (2022)
Ryo Kawada, Katsuhiro Endo, Kenji Yasuoka, Hidekazu Kojima, Nobuyuki Matubayasi
Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models. Journal of chemical information and modeling (2022)
Takuma Yagasaki, Nobuyuki Matubayasi
Molecular dynamics study of the interactions between a hydrophilic polymer brush on graphene and amino acid side chain analogues in water. Physical chemistry chemical physics : PCCP 24 (37) (2022)
Makoto Suzuki, Akira Tsuchiko, Yoshiyuki Tanaka, Nobuyuki Matubayasi, George Mogami, Nobuyuki Uozumi, Satoshi Takahashi
Hyper-mobile Water and Raman 2900 cm -1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water. The journal of physical chemistry. B 127 (1) (2022)
Olivia P L Dalby, Steven Abbott, Nobuyuki Matubayasi, Seishi Shimizu
Cooperative Sorption on Heterogeneous Surfaces. Langmuir : the ACS journal of surfaces and colloids 38 (43) (2022)
Makoto Suzuki, Akira Tsuchiko, Yoshiyuki Tanaka, Nobuyuki Matubayasi, George Mogami, Nobuyuki Uozumi, Satoshi Takahashi
Hyper-mobile Water and Raman 2900 cm -1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water. The journal of physical chemistry. B 127 (1) (2022)
Makoto Suzuki, Akira Tsuchiko, Yoshiyuki Tanaka, Nobuyuki Matubayasi, George Mogami, Nobuyuki Uozumi, Satoshi Takahashi
Hyper-mobile Water and Raman 2900 cm -1 Peak Band of Water Observed around Backbone Phosphates of Double Stranded DNA by High-Resolution Spectroscopies and MD Structural Feature Analysis of Water. The journal of physical chemistry. B (2022)
Yoshiki Ishii, Nobuyuki Matubayasi, Hitoshi Washizu
Nonpolarizable Force Fields through the Self-Consistent Modeling Scheme with MD and DFT Methods: From Ionic Liquids to Self-Assembled Ionic Liquid Crystals. The journal of physical chemistry. B 126 (24) (2022)
Stefan Hervø-Hansen, Jan Heyda, Mikael Lund, Nobuyuki Matubayasi
Anion-cation contrast of small molecule solvation in salt solutions. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Nobuhiro Yasoshima, Tatsuya Ishiyama, Nobuyuki Matubayasi
Adsorption Energetics of Amino Acid Analogs on Polymer/Water Interfaces Studied by All-Atom Molecular Dynamics Simulation and a Theory of Solutions. The journal of physical chemistry. B (2022)
Yusuke Mori, Kei-Ichi Okazaki, Toshifumi Mori, Kang Kim, Nobuyuki Matubayasi
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide. The Journal of chemical physics 153 (5) (2021)
Nobuyuki Matubayasi
Solvation energetics of proteins and their aggregates analyzed by all-atom molecular dynamics simulations and the energy-representation theory of solvation. Chemical communications (Cambridge, England) 57 (78) (2021)
Yoshiki Ishii, Nobuyuki Matubayasi, Go Watanabe, Takashi Kato, Hitoshi Washizu
Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal. Science advances 7 (31) (2021)
Hidekazu Kojima, Kazuya Handa, Kazuo Yamada, Nobuyuki Matubayasi
Water Dissolved in a Variety of Polymers Studied by Molecular Dynamics Simulation and a Theory of Solutions. The journal of physical chemistry. B 125 (32) (2021)
Seishi Shimizu, Nobuyuki Matubayasi
Sorption: A Statistical Thermodynamic Fluctuation Theory. Langmuir : the ACS journal of surfaces and colloids 37 (24) (2021)
Kento Kasahara, Ren Masayama, Kazuya Okita, Nobuyuki Matubayasi
Atomistic description of molecular binding processes based on returning probability theory. The Journal of chemical physics 155 (20) (2021)
Naoya Tomoshige, Shota Goto, Hideyuki Mizuno, Tatsuya Mori, Kang Kim, Nobuyuki Matubayasi
Understanding the scaling of boson peak through insensitivity of elastic heterogeneity to bending rigidity in polymer glasses. Journal of physics. Condensed matter : an Institute of Physics journal 33 (27) (2021)
Lukman Hakim, Yoshiki Ishii, Nobuyuki Matubayasi
Spatial-Decomposition Analysis of Electrical Conductivity in Mixtures of Ionic Liquid and Sodium Salt for Sodium-Ion Battery Electrolytes. The journal of physical chemistry. B 125 (13) (2021)
Yuto Suzuki, Mario Gutierrez, Senri Tanaka, Eduardo Gomez, Norimitsu Tohnai, Nobuhiro Yasuda, Nobuyuki Matubayasi, Abderrazzak Douhal, Ichiro Hisaki
Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion. Chemical science 12 (28) (2021)
Nobuhiro Yasoshima, Tatsuya Ishiyama, Makoto Gemmei-Ide, Nobuyuki Matubayasi
Molecular Structure and Vibrational Spectra of Water Molecules Sorbed in Poly(2-methoxyethylacrylate) Revealed by Molecular Dynamics Simulation. The journal of physical chemistry. B 125 (43) (2021)
Seishi Shimizu, Nobuyuki Matubayasi
Temperature Dependence of Sorption. Langmuir : the ACS journal of surfaces and colloids 37 (37) (2021)
Seishi Shimizu, Nobuyuki Matubayasi
Cooperative Sorption on Porous Materials. Langmuir : the ACS journal of surfaces and colloids 37 (34) (2021)
Bin W Zhang, Nobuyuki Matubayasi, Ronald M Levy
Cavity Particle in Aqueous Solution with a Hydrophobic Solute: Structure, Energetics, and Functionals. The journal of physical chemistry. B 124 (25) (2020)
Seishi Shimizu, Nobuyuki Matubayasi
Fluctuation adsorption theory: quantifying adsorbate-adsorbate interaction and interfacial phase transition from an isotherm. Physical chemistry chemical physics : PCCP (2020)
Ronald M Levy, Nobuyuki Matubayasi, Bin W Zhang
Solvation Thermodynamics from the Perspective of Endpoints DFT. The journal of physical chemistry. B 124 (52) (2020)
Lukman Hakim, Yoshiki Ishii, Kazuhiko Matsumoto, Rika Hagiwara, Koji Ohara, Yasuhiro Umebayashi, Nobuyuki Matubayasi
Transport Properties of Ionic Liquid and Sodium Salt Mixtures for Sodium-Ion Battery Electrolytes from Molecular Dynamics Simulation with a Self-Consistent Atomic Charge Determination. The journal of physical chemistry. B 124 (33) (2020)
Keiichi Masutani, Yu Yamamori, Kang Kim, Nobuyuki Matubayasi
Free-energy analysis of the hydration and cosolvent effects on the β-sheet aggregation through all-atom molecular dynamics simulation. The Journal of chemical physics 150 (14) (2019)
Naoya Tomoshige, Hideyuki Mizuno, Tatsuya Mori, Kang Kim, Nobuyuki Matubayasi
Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending. Scientific reports 9 (1) (2019)
Hodaka Mori, Nobuyuki Matubayasi
Local viscoelasticity at resin-metal interface analyzed with spatial-decomposition formula for relaxation modulus. The Journal of chemical physics 151 (11) (2019)
Yoshiki Ishii, Nobuyuki Matubayasi
Self-Consistent Scheme Combining MD and Order-N DFT Methods: An Improved Set of Nonpolarizable Force Fields for Ionic Liquids. Journal of chemical theory and computation 16 (1) (2019)
Yoshiki Ishii, Naoki Yamamoto, Nobuyuki Matubayasi, Bin W Zhang, Di Cui, Ronald M Levy
Spatially-Decomposed Free Energy of Solvation Based on the Endpoint Density-Functional Method. Journal of chemical theory and computation 15 (5) (2019)
Bin W Zhang, Di Cui, Nobuyuki Matubayasi, Ronald M Levy
The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations. The journal of physical chemistry. B 122 (17) (2018)
Tomonori Kawakami, Isamu Shigemoto, Nobuyuki Matubayasi
Structure and permeability of ionomers studied by atomistic molecular simulation combined with the theory of solutions in the energy representation. The Journal of chemical physics 148 (21) (2018)
Eva Pluhařová, Pavel Jungwirth, Nobuyuki Matubayasi, Ondrej Marsalek
Structure and Dynamics of the Hydration Shell: Spatially Decomposed Time Correlation Approach. Journal of chemical theory and computation 15 (2) (2018)
Di Cui, Bin W Zhang, Nobuyuki Matubayasi, Ronald M Levy
The Role of Interfacial Water in Protein-Ligand Binding: Insights from the Indirect Solvent Mediated Potential of Mean Force. Journal of chemical theory and computation 14 (2) (2018)
Yu Yamamori, Nobuyuki Matubayasi
Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme. The Journal of chemical physics 146 (22) (2018)
Ai Shinobu, Kazuhiro Takemura, Nobuyuki Matubayasi, Akio Kitao
Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations. The Journal of chemical physics 149 (19) (2018)
Tomoko Mizuguchi, Nobuyuki Matubayasi
Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions. The journal of physical chemistry. B 122 (13) (2018)
Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
How do hydrogen bonds break in supercooled water?: Detecting pathways not going through saddle point of two-dimensional potential of mean force. The Journal of chemical physics 148 (24) (2018)
Kazuhiro Takemura, Nobuyuki Matubayasi, Akio Kitao
Binding free energy analysis of protein-protein docking model structures by evERdock. The Journal of chemical physics 148 (10) (2018)
Yoshihiko Tokunaga, Yu Yamamori, Nobuyuki Matubayasi
Probabilistic analysis for identifying the driving force of protein folding. The Journal of chemical physics 148 (12) (2018)
Naoki Yamamoto, Ippei Nakakuki, Nobuyuki Matubayasi
Free-energy analysis of physisorption on solid-liquid interface with the solution theory in the energy representation. The Journal of chemical physics 149 (1) (2018)
Minoru Sayou, Ryosuke Ishizuka, Nobuyuki Matubayasi
Energetic Analysis of Adsorption and Absorption of Small Molecule to Nanodroplet of Water. The journal of physical chemistry. B 121 (24) (2017)
Hideaki Takahashi, Satoru Umino, Yuji Miki, Ryosuke Ishizuka, Shu Maeda, Akihiro Morita, Makoto Suzuki, Nobuyuki Matubayasi
Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions. The journal of physical chemistry. B 121 (10) (2017)
Ryosuke Ishizuka, Nobuyuki Matubayasi
Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory. Journal of computational chemistry 38 (30) (2017)