Academic Paper 1980s
- H. Hori, T. Yoshino, Y. Ishizuka, T. Yamauchi, Y. Shiratori, S. Nakagawa, H. Umeyama, K. Murakami,
"Characterization of N-Linked Oligosaccharides Attached to Human Renin Expressed in COS Cells",
Clin. and Exper. Hyper.-Theory and Practice, A10, 1147-1155 (1988).
- 中川節子
"１３ 分子動力学設計システム"、
現代化学 増刊 13 新薬のリードジェネレーション−最新ドラッグデザイン−、
森口・梅山編、東京化学同人、pp.162-175 (1987).
- K. Komatsu, S. Nakagawa, H. Umeyama, H. Nakamura,
"Electrostatic Interaction Energy and Solvent Accessibility in the Methotrexate-Reduced Nicotinamide Adenine Dinucleotide
Phosphate-Dihydrofolate Reductase Ternary Complex",
Chem. Pharm. Bull., 35, 1880-1895 (1987).
- H. Kubodera, S. Nakagawa, H. Umeyama,
"Reproduction of ab initio Electrostatic Potential with Classical Fractional Point Charges",
Chem. Pharm. Bull., 35, 1673-1685 (1987).
- H. Umeyama, S. Nakagawa,
"Hydrogen Bonding Systems in Serineproteases",
Biomolecules (C. Nagata et al., eds.), Japan Sci. Soc. Press, Tokyo/Elsevier,
Amsterdam, pp.21-30 (1985).
- K. Iwase, K. Komatsu, S. Hirono, S. Nakagawa, I. Moriguchi,
"Estimation of Hydrophobicity Based on the Solvent-Accessible Surface Area of Molecules",
Chem. Pharm. Bull., 33, 2114-2121 (1985).
- K. Akahane, S. Nakagawa, H. Umeyama,
"Three-dimensional Structure of Human Renin and Renin Inhibitors. New Approach to Drug Design",
J. Pharmacobio-Dyn., 8, s-174 (1985).
- K. Akahane, H. Umeyama, S. Nakagawa, I. Moriguchi, S. Hirose, K. Iizuka, K. Murakami,
"Three-dimensional Structure of Human Renin",
Hypertension, 7, 3-12 (1985).
- H. Nakamura, K. Komatsu, S. Nakagawa, H. Umeyama,
"Visualization of Electrostatic Recognition by Enzymes for their Ligands and Cofactors",
J. Mol. Graphics, 3, 2-11 (1985).
- K. Akahane, S. Nakagawa, H. Umeyama,
"Energy Decomposition Analysis of Borane Monoammoniate: Origin of the Rotational Barrier to Nonrigid Rotation",
J. Mol. Structure, 126, 381-384 (1985).
- S. Nakagawa, H. Umeyama,
"Role of Catalytic Residues in the Formation of a Tetrahedral Adduct in the Acylation Reaction of
Bovine b-Trypsin A Molecular Orbital Study",
J. Mol. Biol., 179, 103-123 (1984).
- H. Umeyama, S. Hirono, S. Nakagawa,
"Charge Satate of His-57-Asp-102 Couple in a Transition State Analogue-Trypsin Complex:
A Molecular Orbital Study",
Proc. Natl. Acad. Sci. USA, 81, 6266-6270 (1984).
- K. Komatsu, H. Nakamura, S. Nakagawa, H. Umeyama,
"Electrostatic Forces in the Inhibition of Dihydrofolate Reductase by Methotrexate,
A Field Potential Study",
Chem. Pharm. Bull., 32, 3313-3316 (1984).
- H. Umeyama, S. Nakagawa,
"Charge State of His 57-ASp 102 Couple in b-Trypsin: A Molecular Orbital Study",
Chem. Pharm. Bull., 30, 2252-2254 (1982).
- S. Nakagawa, H. Umeyama,
"The Role of the Environment around the Catalytic Triad in b-Trypsin: A Molecular Orbital Study",
Bioorg. Chem., 11, 322-327 (1982).
- S. Nakagawa, H. Umeyama,
"Ab Initio Molecular Orbital Study on the Effects of Zinc Ion, its Ligands and Ionic Amino Acid Residues for Proton Transfer
Energetics between Glu 270 and Zn Co-ordinated Water Molecule in Carboxypeptidase A",
J. Theor. Biol., 96, 473-493 (1982).
- H. Umeyama, S. Nakagawa,
"The pKa Value of His 57-Asp 102 Couple in the Active Site of Bovine Pancreatic b-Trypsin:
A Molecular Orbital Study",
J. Theor. Biol., 99, 759-775 (1982).
- S. Nakagawa, H. Umeyama,
"Role of Local Induced-fit of Ser 195 in b-Trypsin A Molecular Orbital Study",
FEBS LETTERS, 139, 181-184 (1982).
- S. Nakagawa, H. Umeyama,
"Role of Asp 102 in the Enzymatic Reaction of Bovine b-Trypsin A Molecular Orbital Study",
J. Mol. Biol., 150, 409-421 (1981).
- H. Umeyama, S. Nakagawa, T. Kudo,
"Molecular Orbital Study of the Effects of Ionic Amino Acid Residues on Proton Transfer Energetics in the Active Site of
Carboxypeptidase A",
Chem. Phys. Letters, 81, 503-507 (1981).
- H. Umeyama, S. Nakagawa,
"Molecular Orbital Study of Proton Transfer Energetics in the Active Site of Papain by Using Methanethiol-Imidazole-Formic
Acid Complex as a Model",
Chem. Pharm. Bull., 29, 918-925 (1981).
- H. Umeyama, T. Kudo, S. Nakagawa,
"Molecular Orbital Study on the Structure and Barrier to Internal Rotation of Phosphine-Borane",
Chem. Pharm. Bull., 29, 287-292 (1981).
- S. Nakagawa, H. Umeyama, K. Kitaura, K. Morokuma,
"A Molecular Orbital Study on the Zinc-Water-Glu 270 System in Carboxypeptidase A",
Chem. Pharm. Bull., 29, 1-6 (1981).
- H. Umeyama, S. Nakagawa, T. Nomoto,
"Simulation of the Enzymatic Reaction of Dogfish M4 Lactate Dehydrogenase:
A Molecular Orbital Study on the Reactivity of Pyruvate",
Chem. Pharm. Bull., 28, 2874-2883 (1980).
- H. Umeyama, S. Nakagawa,
"Effects of the Hydrogen Bond between His 57 and Asp 102 on the Lone Pair Molecular Orbital of Nitrogen of His 57
in Serine Proteases",
Chem. Pharm. Bull., 28, 2292-2300 (1980).
- H. Umeyama, S. Nakagawa, T. Nomoto, I. Moriguchi,
"A Molecular Orbital Study of the Rotaional Inhibition of NH4+ in Tetranactin",
Water and Metal Cations in Biological Systems (B. Pullman and K. Yagi, eds.), Japan Sci. Soc. Press, Tokyo, pp. 221-235 (1980).
- S. Nakagawa, H. Umeyama, T. Kudo,
"The Molecular Orbital Study on the Role of Hydrogen Bonding System in the Active Site of Serine Proteases",
Chem. Pharm. Bull., 28, 1342-1344 (1980).
- H. Umeyama, S. Nakagawa, T. Nomoto, I. Moriguchi,
"A Molecular Orbital Study on Tetranactin-NH4+ Complex",
Chem. Pharm. Bull., 28, 745-754 (1980).