Kenichi Dedachi

发表

A combined simulation with ab initio MO and classical vibrational analysis on the specific interactions between thermolysin and dipeptide ligands

Mahmud Tareq Hassan Khan, I. Sylte, N. Kurita, 2009 .

Specific interactions between aryl hydrocarbon receptor and dioxin congeners: ab initio fragment molecular orbital calculations.

Satoshi Itoh, Noriyuki Kurita, Kenichi Dedachi, 2010, Journal of molecular graphics & modelling.

Ab initio fragment molecular orbital calculations on specific interactions between aryl hydrocarbon receptor and dioxin

S. Itoh, N. Kurita, Kenichi Dedachi, 2012 .

Dipeptide inhibitors of thermolysin and angiotensin I-converting enzyme.

R. Gambari, M. Borgatti, Mahmud Tareq Hassan Khan, 2012, Current topics in medicinal chemistry.

Specific interactions and binding energies between thermolysin and potent inhibitors: molecular simulations based on ab initio molecular orbital method.

Mahmud Tareq Hassan Khan, I. Sylte, N. Kurita, 2012, Journal of molecular graphics & modelling.

Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters

M. Iwaoka, Kenichi Dedachi, Taku Shimosato, 2013 .

Structure-based analysis of the molecular recognitions between HIV-1 TAR-RNA and transcription factor nuclear factor-kappaB (NFkB).

R. Gambari, M. Borgatti, Mahmud Tareq Hassan Khan, 2012, Current topics in medicinal chemistry.

Model study using designed selenopeptides on the importance of the catalytic triad for the antioxidative functions of glutathione peroxidase.

M. Iwaoka, T. Nomura, Kenichi Dedachi, 2014, The journal of physical chemistry. B.

Density-functional theoretical study on hydrated DNA duplex : Effect of hydrating water molecules on HOMO distribution in DNA

Y. Ishikawa, T. Tsukamoto, N. Kurita, 2006 .

Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double strands: Density-functional theoretical calculations.

Y. Ishikawa, T. Tsukamoto, N. Kurita, 2007, Chemical physics letters.

Hybridization energies of double strands composed of DNA, RNA, PNA and LNA.

Noriyuki Kurita, Takayuki Tsukamoto, Kenichi Dedachi, 2007, Chemical physics letters.

Rapid and quantitative disulfide bond formation for a polypeptide chain using a cyclic selenoxide reagent in an aqueous medium.

M. Iwaoka, Kenichi Dedachi, K. Arai, 2011, Chemistry.

Specific interactions and binding free energies between thermolysin and dipeptides: Molecular simulations combined with Ab initio molecular orbital and classical vibrational analysis

Noriyuki Kurita, Ingebrigt Sylte, Mahmud Tareq Hassan Khan, 2011, J. Comput. Chem..

Fragment MO Calculations on Specific Interactions between AhR and TCDD for Beluga and Tern

S. Itoh, N. Kurita, Kenichi Dedachi, 2009 .

Hybrid QM/MM calculations on the structure and electronic properties of hydrated RNA base pair

Y. Ishikawa, T. Tsukamoto, N. Kurita, 2008 .

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide

Toshiki Suzuki, Yuya Shoji, Toshiya Minezaki, 2017, Journal of Computer-Aided Molecular Design.

Charge Transfer through Single and Double-strand DNAs : Theoretical Analysis Based on Molecular Orbital Calculations

N. Kurita, Kenichi Dedachi, Takatoshi Higuchi, 2004 .

Density-functional calculations on DNA–DNA, PNA–DNA and PNA–PNA double strands

Y. Ishikawa, N. Kurita, Kenichi Dedachi, 2006 .

Charge Transfer Through Single- and Double-strand DNAs: Simulations Based on Molecular Dynamics and Molecular Orbital Methods.

Y. Ishikawa, N. Kurita, Kenichi Dedachi, 2007, Chemical physics letters.

Charge transfer in single‐ and double‐strand DNAs: Theoretical analysis based on molecular orbital method

Y. Ishikawa, N. Kurita, Kenichi Dedachi, 2006 .