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List of works by Yohsuke Hagiwara

A novel computational scheme for accurate and efficient evaluation of π-π and π-σ stacking

scientific article published on 12 May 2009

Biological Applications of Hybrid Quantum Mechanics/Molecular Mechanics Calculation ⬇️

scientific article published on March 28, 2012

Editing mechanism of aminoacyl-tRNA synthetases operates by a hybrid ribozyme/protein catalyst

scientific article

Electronic and geometric structures of the blue copper site of azurin investigated by QM/MM hybrid calculations ⬇️

scientific article published on January 20, 2009

Evaluation of stabilization energies in π–π and cation–π interactions involved in biological macromolecules byab initiocalculations ⬇️

scientific article published on January 20, 2009

First principles molecular dynamics study of catalytic reactions of biological macromolecular systems: toward analyses with QM/MM hybrid molecular simulations

scientific article published on 24 August 2007

Functional roles of a structural element involving Na+-pi interactions in the catalytic site of T1 lipase revealed by molecular dynamics simulations.

scientific article published in November 2009

Identification of the nucleophilic factors and the productive complex for the editing reaction by leucyl-tRNA synthetase

scientific article

Modulation of electronic structures of bases through DNA recognition of protein ⬇️

scientific article published on 09 March 2010

QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines ⬇️

scientific article published on January 20, 2009

Recent advances in jointed quantum mechanics and molecular mechanics calculations of biological macromolecules: schemes and applications coupled to ab initio calculations

scientific article published on 27 September 2010

Structural Instability of the Active Site of T1 Lipase Induced by Replacement of Na(+) with Water Complexed with the Phenylalanine Aromatic Ring

scientific article published in July 2011

Structural modelling of the complex of leucyl-tRNA synthetase and mis-aminoacylated tRNALeu

scientific article published on 01 February 2009

Unidirectional Mechanistic Valved Mechanisms for Ammonia Transport in GatCAB

scientific article published on 20 January 2012

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