about
Change in conformation by DNA-peptide association: molecular dynamics of the Hin-recombinase-hixL complexElectron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.Hydration of ligands of influenza virus neuraminidase studied by the fragment molecular orbital method.Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein.Molecular dynamics simulation of trp-aporepressor in a solvent.PEACH 4 with ABINIT-MP: a general platform for classical and quantum simulations of biological molecules.Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: ab initio fragment molecular orbital study.Threonine 81 of the trp repressor of Escherichia coli plays an auxiliary role in the formation of the corepressor binding pocket.Change in a protein's electronic structure induced by an explicit solvent: an ab initio fragment molecular orbital study of ubiquitinHelix propensity of Ala and Val: a free energy perturbation studyGlycine 85 of the trp-repressor of E. coli is important in forming the hydrophobic tryptophan binding pocket: experimental and computational approachesMolecular dynamics simulations of trp apo- and holorepressors: domain structure and ligand-protein interactionMolecular dynamics simulations revealed Ca(2+)-dependent conformational change of CalmodulinHow does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ionVisualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital methodWater-mediated interactions in the CRP-cAMP-DNA complex: does water mediate sequence-specific binding at the DNA primary-kink site?Does amination of formaldehyde proceed through a zwitterionic intermediate in water? Fragment molecular orbital molecular dynamics simulations by using constraint dynamicsCm3+/Eu3+ induced structural, mechanistic and functional implications for calmodulin
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P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Yuto Komeiji
@ast
Yuto Komeiji
@en
Yuto Komeiji
@es
Yuto Komeiji
@nl
type
label
Yuto Komeiji
@ast
Yuto Komeiji
@en
Yuto Komeiji
@es
Yuto Komeiji
@nl
prefLabel
Yuto Komeiji
@ast
Yuto Komeiji
@en
Yuto Komeiji
@es
Yuto Komeiji
@nl
P108
P106
P1153
6701563580
P31
P496
0000-0002-9708-6175