References:
87. Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase,
Toshiaki. Matsubara, Michel Dupuis and Misako Aida,
Journal of Physical Chemistry B, 111, 9965-9974 (2007).
DOI: 10.1021/jp072732k
85. The ONIOM molecular dynamics method for biochemical applications:cytidine deaminase,
Toshiaki Matsubara, Michel Dupuis and Misako Aida,
Chemical Physics Letters, 437(1-3), 138-142 (2007).
DOI: 10.1016/j.cplett.2007.01.085
78. A Quantum Chemical Study of the Catalysis for Cytidine Deaminase:Contribution of the Extra Water Molecule,
Toshiaki Matsubara, Masashi Ishikura, Misako Aida,
Journal of Chemical Information and Modeling, 46(3), 1276-1285 (2006).
DOI: 10.1021/ci050479k
77. 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 the Solutions,
Shaheda A. Wahab, Takanori Harada, Toshiaki Matsubara and Misako Aida,
Journal of Physical Chemistry A, 110(3), 1052-1059 (2006).
DOI: 10.1021/jp055054f
54.Determination of the Three-Dimensional Structure of Crystalline Leu-Enkephalin Dihydrate Based on Six Sets of Accurately Determined Interatomic Distances from 13C-REDOR NMR and the Conformation-Dependent 13C Chemical Shift,
Katsuyuki Nishimura, Akira Naito, Satoru Tuzi, Hazime Saito, Chikao Hashimoto and Misako Aida,
Journal of Physical Chemistry, B102(38), 7476-7483 (1998).
DOI: 10.1021/jp981683w
39.Determination of the Three-dimensional Structure of a New Crystalline Form of N-Acetyl-Pro-Gly-Phe As Revealed by 13C-REDOR, X-Ray Diffraction, and Molecular Dynamics Calculation,
Akira Naito, Katsuyuki Nishimura, Shigeki Kimura, Satoru Tuzi, Misako Aida, Noritake Yasuoka, and Hazime Saito,
Journal of Physical Chemistry, 100, 14995 - 15004 (1996).
DOI: 10.1021/jp960179t
38.Molecular Dynamics Simulations of a Simple Tripeptide, N-acetyl-Pro-Gly-Phe in the Crystalline States: Distinction of the -turn Type I from the Type II form,
Misako Aida, Akira Naito and Hazime Saito,
Journal of Molecular Structure (Theochem), 388, 187-200 (1996).
DOI: 10.1016/S0166-1280(96)80032-7
36.Structural Fluctuation of Methyl N,N'-diacetyl--D-Chitobioside in vacuo and in Aqueous Solution: Molecular Dynamics Simulations and Proton NMR Spectroscopy,
Misako Aida, Yoko Sugawara, Setsuko Oikawa and Kimiko Umemoto,
International Journal of Biological Macromolecules, 17, 227-235 (1995).
DOI: 10.1016/0141-8130(95)92690-R
29.Molecular dynamics simulation in vacuo and in solution of Cyclolinopeptide A: A conformational study,
Michele Saviano, Misako Aida and Giorgina Corongiu,
Biopolymers, 31, 1017-1024, 1991.
DOI: 10.1002/bip.360310811
14.An ab initio MO study on the disulfide bond: properties concerning the characteristic S-S dihedral angle,
Misako Aida and Chikayoshi Nagata,
Theoretica Chimica Acta, 70, 73-80, 1986.
DOI: 10.1007/BF00532204
8.An ab initio MO study on the thiol-disulphide exchange reaction,
Misako Aida and Chikayoshi Nagata,
Chemical Physics Letters, 112, 129-132, 1984.
DOI: 10.1016/0009-2614(84)85006-X