Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation
about
Interaction-component analysis of the hydration and urea effects on cytochrome c.Correlation analysis for heat denaturation of Trp-cage miniprotein with explicit solvent.Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme.Computation of the free energy due to electron density fluctuation of a solute in solution: a QM/MM method with perturbation approach combined with a theory of solutions.A modern solvation theory: quantum chemistry and statistical chemistry.Ermod: fast and versatile computation software for solvation free energy with approximate theory of solutions.A robust approach to calculate entropy change based on density functional theory in the energy representation.
P2860
Q30385134-930B74D3-50FD-48A1-A960-1ABA4705572DQ39722073-5C3D67BB-D6DE-486B-86FC-BEF6AC4048EAQ47323268-1D880E90-CB8A-4956-A8A8-E4039B7A8B44Q51095591-794580FE-6364-4ABE-8972-69FCEF254030Q51227001-FAC42018-C744-4B6B-9150-1AB0CBB70C93Q51588134-8FAB651C-6E7C-4448-AF8F-F740ED83EAFBQ51768084-519FF874-7B5D-4DC1-BDE4-C825A822E239
P2860
Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年学术文章
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2008年學術文章
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2008年學術文章
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2008年學術文章
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name
Computation of the free energy ...... heory of energy representation
@en
Computation of the free energy ...... heory of energy representation
@nl
type
label
Computation of the free energy ...... heory of energy representation
@en
Computation of the free energy ...... heory of energy representation
@nl
prefLabel
Computation of the free energy ...... heory of energy representation
@en
Computation of the free energy ...... heory of energy representation
@nl
P2093
P2860
P356
P1476
Computation of the free energy ...... heory of energy representation
@en
P2093
Hajime Ohno
Hideaki Takahashi
Nobuyuki Matubayasi
P2860
P304
P356
10.1063/1.3026506
P407
P577
2008-11-01T00:00:00Z