biological molecule: structures

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