S. Nakagawa

发表

Ab initio study on the transition state of acylation step of trypsin catalysis.

H. Umeyama, H. Kubodera, S. Nakagawa, 1990, Journal of pharmacobio-dynamics.

Molecular orbital study of the effects of ionic amino acid residues on proton transfer energetics in the active site of carboxypeptidase a

H. Umeyama, S. Nakagawa, 1981 .

The pKa value of His 57-Asp 102 couple in the active site of bovine pancreatic beta-trypsin: a molecular orbital study.

H. Umeyama, S. Nakagawa, 1982, Journal of theoretical biology.

The role of the environment around the catalytic triad in β-trypsin: A molecular orbital study

H. Umeyama, S. Nakagawa, 1982 .

Role of local induced‐fit of Ser 195 in β‐trypsin

H. Umeyama, S. Nakagawa, 1982 .

An Investigation of the Conformation of β-Carrageenan by Molecular Mechanics and Molecular Dynamics Simulations

A. Imamura, K. Ueda, H. Ochiai, 1995 .

Ab Initio Molecular Orbital Studies on the Aspirin Solvolysis and Ester Hydrolysis

H. Umeyama, S. Nakagawa, 1977 .

Polarizable Molecular Block Model: Toward the Development of an Induced Dipole Force Field for DNA.

Y. Okamoto, A. Kimura, S. Nakagawa, 2022, The journal of physical chemistry. B.

Enzymic dynamics and molecular orbital study on the roles of arginines in carboxypeptidase A, a sliding mechanism

H. Umeyama, S. Nakagawa, 1978 .

Molecular Orbital Study of Proton Transfer Energetics in the Active Site of Papain by Using Methanethiol-Imidazole-Formic Acid Complex as a Model

H. Umeyama, S. Nakagawa, 1981 .

Active site dynamics of acyl‐chymotrypsin

M. Karplus, S. Nakagawa, Hsiang‐Ai Yu, 1993, Proteins.

Energy decomposition analysis of borane monoammoniate: origin of the rotational barrier to nonrigid rotation

H. Umeyama, K. Akahane, S. Nakagawa, 1985 .

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.

H. Umeyama, H Umeyama, S Nakagawa, 1982, Journal of theoretical biology.

Molecular Orbital Study on the Structure and Barrier to Internal Rotation of Phosphine-Borane

T. Kudo, H. Umeyama, S. Nakagawa, 1981 .

Theoretical studies of pKa'S for organic compounds in aqueous solution

Yasumasa Tanaka, Y. Shiratori, S. Nakagawa, 1990 .

Role of Asp102 in the enzymatic reaction of bovine beta-trypsin. A molecular orbital study.

T. Kudo, H. Umeyama, S. Nakagawa, 1981, Journal of molecular biology.

Characterization of N-linked oligosaccharides attached to human renin expressed in COS cells.

K. Murakami, H. Umeyama, Y. Ishizuka, 1988, Clinical and experimental hypertension. Part A, Theory and practice.

Visualization of electrostatic recognition by enzymes for their ligands and cofactors

Haruki Nakamura, Hideaki Umeyama, Setsuko Nakagawa, 1985 .

Electrostatic forces in the inhibition of dihydrofolate reductase by methotrexate. A field potential study.

H. Umeyama, K. Komatsu, H. Nakamura, 1984, Chemical & pharmaceutical bulletin.

The molecular orbital study on the role of hydrogen bonding system in the active site of serine proteases.

T. Kudo, H. Umeyama, S. Nakagawa, 1980 .

Three-dimensional structure of human renin.

I. Moriguchi, S. Hirose, H. Umeyama, 1985, Hypertension.

Dual Photochemical Reaction Pathway in Flavin-Based Photoreceptor LOV Domain: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation.

C. Marian, O. Weingart, S. Nakagawa, 2017, The journal of physical chemistry. B.

Parametrization of calcium binding site in proteins and molecular dynamics simulation on phospholipase A2

Y. Shiratori, S. Nakagawa, 1991 .

Role of catalytic residues in the formation of a tetrahedral adduct in the acylation reaction of bovine beta-trypsin. A molecular orbital study.

H. Umeyama, S. Nakagawa, Hideaki Umeyama, 1984, Journal of molecular biology.

Charge state of His-57-Asp-102 couple in a transition state analogue-trypsin complex: a molecular orbital study.

S. Hirono, H. Umeyama, S. Nakagawa, 1984, Proceedings of the National Academy of Sciences of the United States of America.

Anisotropic contribution in multicenter polarizabilities and first hyperpolarizabilities. Ab initio MP2 calculations of acetylene, ethylene, ethane and benzene

S. Nakagawa, 1995 .

Polarizable model potential function for nucleic acid bases

Setsuko Nakagawa, S. Nakagawa, 2007, J. Comput. Chem..

Transferability in multicenter polarizabilities of alkanes and alcohols derived from ab initio polarized one-electron potentials

S. Nakagawa, 1997 .

Polarized one-electron potentials fitted by multicenter polarizabilities and hyperpolarizabilities. Ab initio SCF-CI calculation of water

N. Kosugi, S. Nakagawa, 1993 .

Reproduction of ab Initio Electrostatic Potential with Classical Fractional Point Charges

H. Umeyama, H. Kubodera, S. Nakagawa, 1987 .

Polarizable Model Potential Function for Ion−Methanol Systems

S. Nakagawa, 2000 .

Photophysics of flavin derivatives absorbing in the blue-green region: thioflavins as potential cofactors of photoswitches.

W. Thiel, C. Marian, B. Karasulu, 2014, The journal of physical chemistry. B.