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1
Ligand receptor affinities computed by an adapted linear interaction model for continuum electrostatics and by protein conformational averaging
Ligand receptor affinities computed by an adapted linear interaction model for continuum electrostatics and by protein conformational averaging
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Ligand receptor affinities computed by an adapted linear interaction model for continuum electrostatics and by protein conformational averaging

Ariane Nunes Alves Guilherme Menegon Arantes

Journal of Chemical information and Modeling Washington v. 54, n. 8, p. 2221-2231, 2014

Washington 2014

Item não circula. Consulte sua biblioteca.(Acessar)

2
Mechanisms for Flavin-mediated oxidation hydride or hydrogen-atom transfer?
Mechanisms for Flavin-mediated oxidation hydride or hydrogen-atom transfer?
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Mechanisms for Flavin-mediated oxidation hydride or hydrogen-atom transfer?

Felipe Curtolo Guilherme Menegon Arantes

Journal of Chemical Information and Modeling Washington v. 60, n. 12, p. 6282–6287, 2020

Washington 2020

Item não circula. Consulte sua biblioteca.(Acessar)

3
Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases
Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases
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Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases

Felipe Curtolo Guilherme Menegon Arantes

Journal of Chemical Information and Modeling Washington v. 63, p. 3510−3520, 2023

Washington 2023

Item não circula. Consulte sua biblioteca.(Acessar)

4
Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1
Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1
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Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1

Sofia Rodrigues Guedes Camilo Felipe Curtolo; Vanesa V Galassi; Guilherme Menegon Arantes

Journal of Chemical Information and Modeling Washington v. 61, p. 1840−1849, 2021

Washington 2021

Item não circula. Consulte sua biblioteca.(Acessar)

5
Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins
Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins
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Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins

André Anversa Oliveira Reis Raphael Santa Rosa Sayegh; Sandro Roberto Marana; Guilherme Menegon Arantes

Journal of Chemical Information and Modeling Washington v. 60, n. 2, p. 890–897, 2020

Washington 2020

Item não circula. Consulte sua biblioteca.(Acessar)

6
Modeling the hydrolysis of iron–sulfur clusters
Modeling the hydrolysis of iron–sulfur clusters
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Modeling the hydrolysis of iron–sulfur clusters

Murilo Hoias Teixeira Felipe Curtolo; Sofia Rodrigues Guedes Camilo; Martin J Field; Peng Zheng; Hongbin Li; Guilherme Menegon Arantes

Journal of Chemical Information and Modeling Washington v. 60, p. 653−660, 2020

Washington 2020

Item não circula. Consulte sua biblioteca.(Acessar)

7
Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Q o Site in Cytochrome bc 1
Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Q o Site in Cytochrome bc 1
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Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Q o Site in Cytochrome bc 1

Camilo, Sofia R. G ; Curtolo, Felipe ; Galassi, Vanesa V ; Arantes, Guilherme M

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1840-1849 [Periódico revisado por pares]

United States: American Chemical Society

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8
Modeling the Hydrolysis of Iron–Sulfur Clusters
Modeling the Hydrolysis of Iron–Sulfur Clusters
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Modeling the Hydrolysis of Iron–Sulfur Clusters

Teixeira, Murilo H ; Curtolo, Felipe ; Camilo, Sofia R. G ; Field, Martin J ; Zheng, Peng ; Li, Hongbin ; Arantes, Guilherme M

Journal of chemical information and modeling, 2020-02, Vol.60 (2), p.653-660 [Periódico revisado por pares]

United States: American Chemical Society

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9
Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Qo Site in Cytochrome bc1
Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Qo Site in Cytochrome bc1
Material Type:
Artigo 		Adicionar ao Meu Espaço

Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Qo Site in Cytochrome bc1

Camilo, Sofia R G ; Curtolo, Felipe ; Galassi, Vanesa V ; Arantes, Guilherme M

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1840-1849 [Periódico revisado por pares]

Washington: American Chemical Society

Texto completo disponível

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Deste Autor:

  1. Arantes, G
  2. Curtolo, F
  3. Camilo, S
  4. Li, H
  5. Teixeira, M

Neste Assunto:

  1. Proteínas
  2. Electronic Structure
  3. Peptídeos
  4. Iron
  5. Molecular Dynamics

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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