M. Aida

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Book Reviews

Aaas News, E. Lu, Min-Min Zhou, 1893, Buffalo Medical and Surgical Journal.

Free-Energy Maps of Base−Amino Acid Interactions for DNA−Protein Recognition

M. Michael Gromiha, Misako Aida, Fabio Pichierri, 1999 .

The endocyclic oxygen atom of d-mannopyranose is involved in its binding to pradimicins

M. Aida, M. Ojika, Yukishige Ito, 2020 .

Raman scattering tensors of tyrosine.

M. Aida, M. Tsuboi, K. Ushizawa, 1998, Biospectroscopy.

Ab initio molecular dynamics studies on substitution vs electron transfer reactions of substituted ketyl radical anions with chloroalkanes: how do the two products form in a borderline mechanism?

M. Aida, M. Dupuis, H. Yamataka, 2003 .

Digraphs in Chemistry: All Possible Structures and Temperature-Dependent Distribution of Water Clusters

M. Aida, Tomoki Yoshida, H. Doi, 2012 .

Characteristics of the Watson‐Crick type hydrogen‐bonded DNA base pairs: An ab initio molecular orbital study

M. Aida, 1988 .

Distribution of topologically distinct isomers of water clusters and dipole moments of constituent water molecules at finite atmospheric temperatures.

M. Aida, Dai Akase, 2014, The journal of physical chemistry. A.

Chemical Modification of the siRNA Seed Region Suppresses Off-Target Effects by Steric Hindrance to Base-Pairing with Targets

M. Aida, K. Ui-Tei, Tomoko Takahashi, 2017, ACS omega.

Critical assessment of the hybrid QM/MM-pol-vib approach: Small water clusters using polarizable flexible water potentials

Michel Dupuis, Hiroshi Yamataka, Misako Aida, 2000 .

Ab Initio QM/MM-MC Study on Hydrogen Transfer of Glycine Tautomerization in Aqueous Solution: Helmholtz Energy Changes along Water-mediated and Direct Processes

M. Aida, H. Miyamoto, 2013 .

Ab initio MD simulations of a prototype of methyl chloride hydrolysis with explicit consideration of three water molecules: a comparison of MD trajectories with the IRC path

M. Aida, M. Dupuis, H. Yamataka, 1999 .

An Ab Initio MO Study on Orbital Interaction and Charge Distribution in Alkali Metal Aqueous Solution: Li+, Na+, and K+

M. Aida, Masato Tanaka, 2004 .

Dipole Moments of Amino Acid Residues, Gly and Ala, in α-Helix: Quantum Chemical Building Blocks for Macrodipole Moment of α-Helical Polypeptide

M. Aida, Shunsuke Mieda, 2012 .

Macrodipole Moment of Polypeptides in β-Sheet and Its Prediction from Dipole Moments of Amino Acid Residues as Building Blocks: Alanine and Glycine in β-Strand

M. Aida, Shunsuke Mieda, 2013 .

A Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptor β

M. Aida, T. Matsubara, H. Sugimoto, 2008 .

Ab initio mo study on base stacking: Adenine-adenine interaction in single-stranded polyadenylic acid (Poly A)

M. Aida, C. Nagata, 1982 .

Analysis of borderline substitution/electron transfer pathways from direct ab initio MD simulations

M. Aida, M. Dupuis, H. Yamataka, 2002 .

Ab initio molocular orbital study on the mechanism of the Haber-Weiss reaction

M. Aida, C. Nagata, 1984 .

Association Behavior of Poly(ethylene oxide)-Poly(propylene oxide) Alternating Multiblock Copolymers in Water toward Thermally Induced Phase Separation.

M. Aida, Yusuke Sanada, T. Sakai, 2017, Langmuir : the ACS journal of surfaces and colloids.

d-Mannose binding, aggregation property, and antifungal activity of amide derivatives of pradimicin A.

M. Aida, M. Ojika, Yukishige Ito, 2021, Bioorganic & medicinal chemistry.

Molecular orbital studies of the action of thyroid hormone analogs: Effects on oxygen consumption of mitochondria and horseradish peroxidase-catalyzed NADH oxidation

M. Aida, C. Nagata, J. Sakurada, 1988 .

Ab initio molecular orbital study of the interaction of Li+, Na+ and K+ with the pore components of ion channels: consideration of the size, structure and selectivity of the pore of the channels.

M. Aida, C. Nagata, 1984, Journal of theoretical biology.

Ab initio molecular orbital study on the thermostability of the extreme thermophile tRNA: role of the base stacking.

M. Aida, K. Morokuma, I. Ohmine, 1982, Journal of theoretical biology.

Chapter 6 – Radiation-Induced DNA Damage and Repair: An Approach from AB Initio MO Method

M. Aida, M. Kaneko, 1999 .

An ab initio MO study on the thymine dimer and its radical cation

M. Aida, M. Dupuis, M. Kaneko, 1996 .

Population of 6-Enol Form is Higher in 8-Oxoguanine than in Guanine

M. Aida, Tomoki Yoshida, 2006 .

Protonation-induced Conformational Changes of 2-(N,N-Dimethylamino)ethanethiol. Importance of Strong N–H+···S and N–H+···S− Hydrogen Bonding

M. Aida, S. Matsumoto, H. Matsuura, 2003 .

Self-assembled monolayers of double-chain disulfides of adenine on Au: an IR-UV sum-frequency generation spectroscopic study.

M. Aida, T. Ishibashi, T. Nagahara, 2010, Langmuir : the ACS journal of surfaces and colloids.

A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane derivatives

M. Aida, H. Doi, 2014 .

Influence of Trimethylamine N-Oxide (TMAO) on the Three-dimensional Distribution and Alignment of Solvent Molecules in Aqueous Solution

M. Aida, H. Doi, Yudai Watanabe, 2014 .

Solvent distributions, solvent orientations and specific hydration regions around 1-adamantyl chloride and adamantane in aqueous solution

M. Aida, Masayuki Ohisa, 2011 .

Direct Observation of Molecule-Substrate Antibonding States near the Fermi Level in Pd(110)-c(4x2)-Benzene

M. Aida, F. Marumo, M. Kawai, 1997 .

Hydration structure of trimethylamine N-oxide in aqueous solutions revealed by soft X-ray emission spectroscopy and chemometric analysis.

M. Aida, T. Tokushima, Y. Horikawa, 2016, Physical chemistry chemical physics : PCCP.

Photochemistry of 2-(methylamino)pyridine in a low-temperature argon matrix: Amino–imino tautomerism and rotational isomerism

M. Aida, Nobuyuki Akai, K. Ohno, 2007 .

Ab initio molecular orbital study of the mispairing ability of a nucleotide base analogue, N4-aminocytosine.

M. Aida, H. Hayatsu, K. Negishi, 1988, Biochemical and biophysical research communications.

An ab initio molecular orbital study on the stacking interaction between nucleic acid bases: Dependence on the sequence and relation to the conformation

M. Aida, C. Nagata, 1986 .

An explanation of the induction of mutations by 2-aminopurine from an ab initio molecular orbital study.

M. Aida, C. Nagata, K. Yamane, 1986, Mutation research.

Bsse-corrected three-body interaction energy in the recognition of GC base pair by asparagine

M. Aida, Tomoki Yoshida, 2007 .

13C NMR spectra of para‐substituted methoxybenzenes and phenols in the solid state: Examination of chemical shift non‐equivalence in ortho and meta carbons related to non‐equivalent electron distribution, and application to assignment of peaks in meso‐hexestrol and its derivatives

M. Aida, M. Kodama, T. Oda, 1988 .

Synthesis and properties of purinophanes. Relationship between the magnitude of hypochromism and stacking geometry of purine rings

M. Aida, Y. Sakata, C. Nagata, 1988 .

Reconsidering the activation entropy for anomerization of glucose and mannose in water studied by NMR spectroscopy

M. Aida, Yukiteru Katsumoto, A. Kosaka, 2015 .

Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine

M. Aida, Masato Tanaka, 2006 .

Kinetic investigations of the process of encapsulation of small hydrocarbons into a cavitand-porphyrin.

M. Aida, Y. Sakae, J. Nakazawa, 2007, The Journal of organic chemistry.

Molecular Basis of Mannose Recognition by Pradimicins and their Application to Microbial Cell Surface Imaging.

M. Aida, M. Ojika, D. Hashizume, 2019, Cell chemical biology.

Time-resolved infrared study of photo-induced ring-closure reaction of trans-2-hydroxychalcone

M. Aida, T. Ishibashi, Dai Akase, 2020 .

Photo-Induced Ring-Opening Reaction of Flav-3-en-2-ol Monitored by Time-Resolved Infrared Spectroscopy.

M. Aida, T. Ishibashi, Dai Akase, 2019, The journal of physical chemistry. B.

Quantum chemical study of the interaction of the short-chain poly(oxyethylene)s CH3(OCH2CH2)mOCH3 (C1EmC1; m = 1 and 2) with a water molecule in the gas phase and in solutions.

M. Aida, T. Matsubara, Takanori Harada, 2006, The journal of physical chemistry. A.

Identification of chemical species of fluorescein isothiocyanate isomer-I (FITC) monolayers on platinum by doubly resonant sum-frequency generation spectroscopy

M. Aida, T. Ishibashi, T. Nagahara, 2008 .

Synthesis and Properties of Purinophanes: Relationship Between the Magnitude of Hypochromism and Stacking Geometry of Purine Rings.

M. Aida, Y. Sakata, C. Nagata, 1988 .

A high-resolution solid-state 23Na NMR study of sodium complexes with solvents, small ligand molecules, and ionophores. 23Na chemical shifts as means for identification and characterization of ion-ion, ion-solvent, and ion-ligand interactions

M. Aida, R. Tabeta, H. Saitô, 1986 .

Photochemistry of p-toluidine in a low-temperature argon matrix. Infrared spectrum and geometrical structure of 4-methylanilino radical

M. Aida, H. Yoshida, Nobuyuki Akai, 2005 .

Micellization of poly(ethylene oxide)-poly(propylene oxide) alternating multiblock copolymers in water

M. Aida, Yusuke Sanada, Yukiteru Katsumoto, 2018, Polymer.

One transition state leading to two product states: ab initio molecular dynamics simulations of the reaction of formaldehyde radical anion and methyl chloride

Michel Dupuis, Hiroshi Yamataka, Misako Aida, 1999 .

Crosslinking reactions of 4-amino-6-oxo-2-vinylpyrimidine with guanine derivatives and structural analysis of the adducts

M. Aida, F. Nagatsugi, T. Mashima, 2015, Nucleic acids research.

Unimer Structure and Micellization of Poly(ethylene oxide)-Stereocontrolled Poly(N-isopropylacrylamide) Alternating Multiblock Copolymers in Aqueous Solution

M. Aida, Yusuke Sanada, Yukiteru Katsumoto, 2019, Macromolecules.

A Quantum Chemical Study of the Catalysis for Cytidine Deaminase: Contribution of the Extra Water Molecule

Misako Aida, Toshiaki Matsubara, Masashi Ishikura, 2006, Journal of Chemical Information and Modeling.

A Quantum Chemical Study of the Catalysis for Cytidine Deaminase: Contribution of the Extra Water Molecule.

M. Aida, T. Matsubara, Masashi Ishikura, 2006 .

The ONIOM molecular dynamics method for biochemical applications : cytidine deaminase.

Michel Dupuis, Misako Aida, Toshiaki Matsubara, 2007 .

Ab initio molecular orbital study on the pairing and stacking interactions between nucleic acid bases in relation to the biological activities

M. Aida, C. Nagata, 1988 .

Why O6-alkylguanine is specifically promutagenic? Ab initio molecular orbital consideration.

M. Aida, C. Nagata, E. Takeda, 1982, Mutation research.

Reaction of 5-trifluoromethyl-2′-deoxyuridine and 1-methyl-5-trifluoromethyluracil with methoxyamine: model studies for the interaction between thymidylate synthetase and 5-trifluoromethyl-2′-deoxyuridine 5′-phosphate

M. Aida, Y. Wataya, D. Santi, 1987 .

siRNA Seed Region Is Divided into Two Functionally Different Domains in RNA Interference in Response to 2′-OMe Modifications

M. Aida, K. Ui-Tei, Dai Akase, 2022, ACS omega.

Dynamics-Driven Reaction Pathway in an Intramolecular Rearrangement

Michel Dupuis, Hiroshi Yamataka, Misako Aida, 2003, Science.

Tables of the Non-Adjacent Number, Topological Index, and Characteristic Polynomials of Heptahex Graphs

M. Aida, H. Hosoya, Tamië Yamaguchi, 1986 .

Ab Initio Direct Molecular Dynamics Simulations and QM/MM Computations in Search of Organic Reaction Mechanisms

M. Aida, H. Yamataka, 2002 .

Vibrational Spectra from Quasiclassical Direct Ab Initio Dynamics

M. Aida, M. Dupuis, 2004 .

An ab initio molecular orbital study on the sequence-dependency of DNA conformation: an evaluation of intra- and inter-strand stacking interaction energy.

M. Aida, Misako Aida, 1988, Journal of theoretical biology.

Selection of Chemical Modifications in the siRNA Seed Region That Repress Off-Target Effect.

M. Aida, K. Ui-Tei, Kengo Miyamoto, 2021, Methods in molecular biology.

A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde (1A2)

M. Aida, K. Hirao, M. Dupuis, 2002 .

Ab initio force field for simulations of proteins and nucleic acids

Misako Aida, Enrico Clementi, Giorgina Corongiu, 1992 .

Molecular Dynamics Simulations with ab initio Interaction Potentials

M. Aida, E. Clementi, M. Pas, 1991 .

Intermolecular nuclear Overhauser effect and atomic pair potential approaches to wheat germ agglutinin-sugar binding.

M. Aida, K. Umemoto, Y. Sugawara, 1988, Journal of biomolecular structure & dynamics.

Determination of the three-dimensional structure of a new crystalline form of N-acetyl-Pro-Gly-Phe as revealed by 13 C REDOR, X-ray diffraction, and molecular dynamics calculation

M. Aida, N. Yasuoka, A. Naito, 1996 .

Structural Effects of Fusicoccin upon Upregulation of 14-3-3-Phospholigand Interaction and Cytotoxic Activity.

M. Aida, M. Uesugi, P. Parvatkar, 2018, Chemistry.

Synthesis and biological activities of the amide derivative of aplog-1, a simplified analog of aplysiatoxin with anti-proliferative and cytotoxic activities

M. Aida, H. Tokuda, K. Irie, 2015, Bioscience, biotechnology, and biochemistry.

Ab initio force field for simulations of proteins and nucleic acids: Application to molecular dynamics simulations in aqueous solution

M. Aida, E. Clementi, G. Corongiu, 1993 .

Structure and hypochromism of (6,9) (9′,6′) purinophanes

M. Aida, Y. Sakata, C. Nagata, 1982 .

An electron spin resonance study on the free radicals produced from aclacinomycin a and its derivatives: analysis of hyperfine structure of the spectra by means of molecular orbital method.

M. Aida, M. Kodama, T. Oki, 1983, Cancer biochemistry biophysics.

An ab initio molecular orbital study on the characteristics of 8-hydroxyguanine.

M. Aida, M Aida, S Nishimura, 1987, Mutation research.

Electronic states of the DNA polynucleotides poly(dG)-poly(dC) in the presence of iodine

M. Aida, T. Hatsui, N. Kosugi, 2007 .

Analysis of the π‐electronic structure of infinitely large networks. I. Some remarks on the characteristic polynomial and density of states of large polycyclic aromatic hydrocarbons

Haruo Hosoya, Misako Aida, M. Aida, 1987 .

ONIOM Study of the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics

M. Aida, Y. Sakae, H. Kondo, 2009 .

Fundamental frequency from classical molecular dynamics.

M. Aida, Tomonori Yamada, 2015, Physical chemistry chemical physics : PCCP.

Metabolically Generated Free Radicals from Many Types of Chemical Carcinogens and Binding of the Radicals with Nucleic Acid Bases

M. Aida, M. Kodama, C. Nagata, 1980 .

Structural fluctuation of methyl N,N'-diacetyl-beta-D-chitobioside in vacuo and in aqueous solution: molecular dynamics simulations and proton NMR spectroscopy.

M. Aida, K. Umemoto, Y. Sugawara, 1995, International journal of biological macromolecules.

H-bond patterns and structure distributions of water octamer (H2O)8 at finite temperatures

M. Aida, Toshiko Miyake, 2006 .

An ab initio MO study on the thiol—disulphide exchange reaction

M. Aida, C. Nagata, 1984 .

Molecular dynamics simulations of a simple tripeptide, N-acetyl-Pro-Gly-Phe in the crystalline states: distinction of the β-turn Type I from the Type II form

M. Aida, A. Naito, H. Saitô, 1996 .

Effect of Molecular Weight on Cloud Point of Aqueous Solution of Poly (ethylene oxide)- Poly (propylene oxide) Alternating Multiblock Copolymer.

M. Aida, Yusuke Sanada, Yukiteru Katsumoto, 2020, Journal of oleo science.

Structures of molecules in ground and excited vibrational states from quasiclassical direct ab initio molecular dynamics.

M. Aida, Tomonori Yamada, 2010, The journal of physical chemistry. A.

Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule

M. Aida, Tomonori Yamada, 2008 .

A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of OH topological types

M. Aida, H. Teramae, Dai Akase, 2015 .

Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24.

M. Aida, S. Xantheas, S. Iwata, 2016, Physical chemistry chemical physics : PCCP.

Hydrogen-bond pattern to characterize water network

M. Aida, Dai Akase, 2019, Pure and Applied Chemistry.

Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method.

Michel Dupuis, Hiroshi Yamataka, Misako Aida, 2008, Physical chemistry chemical physics : PCCP.

Enumeration of Topology-Distinct Structures and Possible Stable Structures of Protonated Water Clusters, H3O+(H2O)n−1 (n≤5)

Misako Aida, M. Aida, Maihemutijiang Jieli, 2007 .

Thermally induced double proton transfer in GG and wobble GT base pairs: A possible origin of the mutagenic guanine

M. Aida, Yukiteru Katsumoto, Adchara Padermshoke, 2008 .

An ab initio MO study on the disulfide bond: properties concerning the characteristic S-S dihedral angle

M. Aida, C. Nagata, 1986 .

Self-assembled monolayers of cyanoterphenyl terminated alkyl disulfides studied by vibrationally and electronically doubly-resonant sum-frequency generation spectroscopy

M. Aida, T. Ishibashi, T. Nagahara, 2011 .

Vibrational anharmonicity of acetic acid studied by matrix-isolation near-infrared spectroscopy and DFT calculation

M. Aida, Nobuyuki Akai, Yukiteru Katsumoto, 2005 .

An ab initio MO study on the hydrolysis of methyl chloride with explicit consideration of 13 water molecules

M. Aida, H. Yamataka, 1998 .

QUANTIFYING FACULTY PRODUCTIVITY IN JAPAN: Development and Application of the Achievement-Motivated Key Performance Indicator

Satoshi P. Watanabe, Misako Aida, M. Aida, 2016 .

Raman scattering tensors in thymine molecule from an ab initio MO calculation

M. Aida, M. Dupuis, M. Tsuboi, 1997 .

Raman spectrum of [5′-13C]thymidine: vibrations of its 5′-end atomic group

M. Aida, Y. Takeuchi, M. Tsuboi, 1999 .

Vibrational modes in thymine molecule from an ab initio MO calculation

M. Aida, M. Dupuis, M. Tsuboi, 1997 .

Molecular dynamics simulation in vacuo and in solution of cyclolinopeptide A: A conformational study

M. Aida, M. Saviano, G. Corongiu, 1991, Biopolymers.

An ab initio MO study on the hydrolysis of methyl chloride

M. Aida, H. Yamataka, 1999 .

Dimerization and double proton transfer-induced tautomerism of 4(3H)-pyrimidinone in solution studied by IR spectroscopy and quantum chemical calculations.

M. Aida, Yukiteru Katsumoto, Adchara Padermshoke, 2006, The journal of physical chemistry. B.

IR and Raman intensities in vibrational spectra from direct ab initio molecular dynamics: D2O as an illustration

M. Aida, M. Dupuis, 2003 .

Search for Active-State Conformation of Drug Target GPCR Using Real-Coded Genetic Algorithm

Yoko Ishino, Takanori Harada, Misako Aida, 2009 .

Fundamental frequency from classical molecular dynamics.

M. Aida, Tomonori Yamada, 2015, Physical chemistry chemical physics : PCCP.

Photoinduced amino-imino tautomerism of 2-aminopyridine in a low-temperature argon matrix

M. Aida, Nobuyuki Akai, K. Ohno, 2005 .

An insight into the environmental effects of the pocket of the active site of the enzyme. Ab initio ONIOM‐molecular dynamics (MD) study on cytosine deaminase

Michel Dupuis, Misako Aida, Toshiaki Matsubara, 2008, J. Comput. Chem..