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List of works by Yusuke Kanematsu

Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.

scientific article published on 17 November 2017

Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift

scientific article published on 01 April 2014

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile.

scientific article published on 27 June 2016

Isotope effect on the circular dichroism spectrum of methyl α-D-glucopyranoside in aqueous solution

scientific article

Performance test of multicomponent quantum mechanical calculation with polarizable continuum model for proton chemical shift

scientific article published on 07 May 2015

Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism.

scientific article published on 20 September 2016

Short-lived intermediate in NO generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography

Strong Hydrogen Bonds at the Interface between Proton-Donating and -Accepting Self-Assembled Monolayers on Au(111).

scientific article published on 23 January 2018

Substrate-shielding and hydrolytic reaction in hydrolases.

scientific article published on 25 February 2013

Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme

scientific article published on 01 November 2014

Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein.

scientific article published on 31 October 2015

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