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A free-energy landscape for coupled folding and binding of an intrinsically disordered protein in explicit solvent from detailed all-atom computations
A free-energy landscape for coupled folding and binding of an intrinsically disordered protein in explicit solvent from detailed all-atom computations
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A free-energy landscape for coupled folding and binding of an intrinsically disordered protein in explicit solvent from detailed all-atom computations

Higo, Junichi ; Nishimura, Yoshifumi ; Nakamura, Haruki

Journal of the American Chemical Society, 13 July 2011, Vol.133(27), pp.10448-58 [Periódico revisado por pares]

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Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center
Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center
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Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center

Yamasaki, Hideki ; Nakamura, Haruki

Chemical Physics Letters, May 21, 2012, Vol.536, p.129(7) [Periódico revisado por pares]

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A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein–protein interaction with an all-atom model in explicit solvent
A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein–protein interaction with an all-atom model in explicit solvent
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A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein–protein interaction with an all-atom model in explicit solvent

Higo, Junichi ; Umezawa, Koji ; Nakamura, Haruki

The Journal of Chemical Physics, 14 May 2013, Vol.138(18) [Periódico revisado por pares]

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Distinct roles of overlapping and non-overlapping regions of hub protein interfaces in recognition of multiple partners
Distinct roles of overlapping and non-overlapping regions of hub protein interfaces in recognition of multiple partners
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Distinct roles of overlapping and non-overlapping regions of hub protein interfaces in recognition of multiple partners

Dasgupta, Bhaskar ; Nakamura, Haruki ; Kinjo, Akira R

Journal of molecular biology, 19 August 2011, Vol.411(3), pp.713-27 [Periódico revisado por pares]

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5
Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center
Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center
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Electron density based interaction energy estimation of the special pair in the photosynthetic reaction center

Yamasaki, Hideki ; Nakamura, Haruki

Chemical Physics Letters, 21 May 2012, Vol.536, pp.129-135 [Periódico revisado por pares]

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6
Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers
Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers
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Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers

Yonezawa, Yasushige ; Shimoyama, Hiromitsu ; Nakamura, Haruki

Chemical Physics Letters, 07 January 2011, Vol.501(4-6), pp.598-602 [Periódico revisado por pares]

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7
Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system
Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system
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Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system

Kamiya, Narutoshi ; Fukuda, Ikuo ; Nakamura, Haruki

Chemical Physics Letters, May 1, 2013, Vol.568-569, p.26(7) [Periódico revisado por pares]

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8
Composite Structural Motifs of Binding Sites for Delineating Biological Functions of Proteins (Composite Motifs of Binding Sites of Proteins)
Composite Structural Motifs of Binding Sites for Delineating Biological Functions of Proteins (Composite Motifs of Binding Sites of Proteins)
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Composite Structural Motifs of Binding Sites for Delineating Biological Functions of Proteins (Composite Motifs of Binding Sites of Proteins)

Kinjo, Akira R ; Nakamura, Haruki Keskin, Ozlem (Editor)

PLoS ONE, 2012, Vol.7(2), p.e31437 [Periódico revisado por pares]

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9
Coordination effects on the electronic structure of the Cu.sub.A site of cytochrome c oxidase.(Report)
Coordination effects on the electronic structure of the Cu.sub.A site of cytochrome c oxidase.(Report)
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Coordination effects on the electronic structure of the Cu.sub.A site of cytochrome c oxidase.(Report)

Koizumi, Kenichi ; Shigeta, Yasuteru ; Okuyama, Orio ; Nakamura, Haruki ; Takano, Yu

Chemical Physics Letters, April 2, 2012, Vol.531, p.197(5) [Periódico revisado por pares]

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10
Electronic structures of a [4Fe–4S] cluster, [Fe 4S 4(SCH 3) 3(CH 3COO)], in dark-operative protochlorophyllide oxidoreductase (DPOR)
Electronic structures of a [4Fe–4S] cluster, [Fe 4S 4(SCH 3) 3(CH 3COO)], in dark-operative protochlorophyllide oxidoreductase (DPOR)
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Electronic structures of a [4Fe–4S] cluster, [Fe 4S 4(SCH 3) 3(CH 3COO)], in dark-operative protochlorophyllide oxidoreductase (DPOR)

Takano, Yu ; Yonezawa, Yasushige ; Fujita, Yuichi ; Kurisu, Genji ; Nakamura, Haruki

Chemical Physics Letters, 2011, Vol.503(4), pp.296-300 [Periódico revisado por pares]

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Deste Autor:

  1. Nakamura, Haruki
  2. Nakamura, H.
  3. Fukunishi, Yoshifumi
  4. Higo, Junichi
  5. Fukunishi, Y.

Neste Assunto:

  1. Biology
  2. Chemistry
  3. Proteins
  4. Models, Molecular
  5. Protein Conformation

  • Realização: USP

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