Publication Database
[全件]（947件） を登録順表示
| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2008 |
|
| author |
|
| title |
Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
Solvation Dynamics in Polar Solvents Studied by Means of RISM/Mode-Coupling Theory |
| journal |
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| Registrant |
平田 文男 |
type |
レビュー・総説 |
published year |
2009 |
|
| author |
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| title |
Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
Theoretical Study of CO escaping pathway in Myoglobin with the 3D-RISM Theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
The potential of mean force of water and ions in aquaporin channels investigated by the 3D-RISM method |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
Revisiting the Salt-induced Conformational Change of DNA with 3D-RISM Theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
Molecular Thermodynamics of Trifluoroethanol-Induced Helix Formation: Analysis of the Solvation Structure and Free Energy by the 3D-RISM Theory, |
| journal |
|
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
Ligand Mapping on Protein Surfaces by the 3D-RISM Theory; Toward Computational Fragment-Based Drug Design |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2009 |
|
| author |
|
| title |
Systematic Docking Study of Carbohydrate Binding Module Protein of Cel7A with Cellulose Iα Crystal Model |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
The dynamics of solvent around a solute: generalized Langevin theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
Proton Transport through the Influenza A M2 Channel: 3D-RISM Study |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. I. Free energy perturbation and thermodynamic integration along coupling parameter |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2010 |
|
| author |
|
| title |
RISM-SCF study of the solvation effect on a nucleophilic aromatic substitution between 4-fluoronitrobenzen and azide anion |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
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| title |
The electronic-structure theory of a large-molecular system in solution: Application to the intercalation of proflavine with solvated DNA |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Affinity of Small Ligands to Myoglobin Studied by the 3D-RISM Theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Solvent and Salt Effects on Structural Stability of Human Telomere |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. II. Thermodynamic integration along reaction coordinates |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation: Implications for Drug Efflux Pathway |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Solvent Penetration in Photoactive Yellow Protein R52Q mutant: A Theoretical Study |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
A New Approach for Investigating the Molecular Recognition of Protein: Toward Structural-Based Drug Design Based on the 3D-RISM Theory |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2012 |
|
| author |
|
| title |
Placevent: An Algorithm for Predicting of Explicit Solvent Atom Distribution - Application to HIV-1 Protease and F-ATP Synthase |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2012 |
|
| author |
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| title |
Elucidating the Molecular Origin of Hydrolysis Energy of Pyrophosphate in Water |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2012 |
|
| author |
|
| title |
Modified Anderson Method for Acceleating 3D-RISM Calculations Using Graphics Processor Unit |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2012 |
|
| author |
|
| title |
Structural fluctuation of protein in water around its native state: A new statistical mechanics formulation |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2008 |
|
| author |
|
| title |
An intergral equation theory for inhomogeneous molecular fluids: The reference interaction site model approach |
| journal |
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| Registrant |
平田 文男 |
type |
原著論文 |
published year |
2008 |
|
| author |
|
| title |
187. Detecting Reaction Intermediate in Enzymatic Reaction of Cel44A, GH family 44 endoglucanase with 3D-RISM Theory, |
| journal |
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| Registrant |
片岡 幹雄 |
type |
原著論文 |
published year |
2013 |
|
| author |
|
| title |
Preferential domain orientation of HMGB2 determined by weak intramolecular interactions mediated by the interdomain linker |
| journal |
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| Registrant |
湯浅 順平 |
type |
原著論文 |
published year |
2013 |
|
| author |
|
| title |
Fingerprint signatures of lanthanide circularly polarized luminescence from proteins covalently labeled by a β-diketonate europium(III) chelate |
| journal |
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| Registrant |
寺嶋 正秀 |
type |
原著論文 |
published year |
2011 |
|
| author |
|
| title |
Thermal and shock induced modification inside a silica glass by focused femtosecond laser pulse |
| journal |
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