skip to main content
Idioma:
Refinado por: Nome da Publicação: Journal of Physical Chemistry B remover
Result Number Material Type Add to My Shelf Action Record Details and Options
1
Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3
Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3
Material Type:
Artigo 		Adicionar ao Meu Espaço

Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3

Sure, Rebecca ; Antony, Jens ; Grimme, Stefan

The journal of physical chemistry. B, 2014-03, Vol.118 (12), p.3431-3440 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
2
Enzyme Promiscuity in Enolase Superfamily. Theoretical Study of o‑Succinylbenzoate Synthase Using QM/MM Methods
Enzyme Promiscuity in Enolase Superfamily. Theoretical Study of o‑Succinylbenzoate Synthase Using QM/MM Methods
Material Type:
Artigo 		Adicionar ao Meu Espaço

Enzyme Promiscuity in Enolase Superfamily. Theoretical Study of o‑Succinylbenzoate Synthase Using QM/MM Methods

Sánchez-Tarín, María ; Swiderek, Katarzyna ; Roca, Maite ; Tuñón, Iñaki

The journal of physical chemistry. B, 2015-02, Vol.119 (5), p.1899-1911 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
3
In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration
In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration
Material Type:
Artigo 		Adicionar ao Meu Espaço

In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration

Westergren, Jan ; Lindfors, Lennart ; Höglund, Tobias ; Lüder, Kai ; Nordholm, Sture ; Kjellander, Roland

The journal of physical chemistry. B, 2007-02, Vol.111 (7), p.1872-1882 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
4
Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore−Protein Electrostatic Interaction Behind the Color Variations
Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore−Protein Electrostatic Interaction Behind the Color Variations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore−Protein Electrostatic Interaction Behind the Color Variations

Hasegawa, Jun-ya ; Ise, Takehiko ; Fujimoto, Kazuhiro J ; Kikuchi, Akihiro ; Fukumura, Eiko ; Miyawaki, Atsushi ; Shiro, Yoshitsugu

The journal of physical chemistry. B, 2010-03, Vol.114 (8), p.2971-2979 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
5
Protein Folding Thermodynamics: A New Computational Approach
Protein Folding Thermodynamics: A New Computational Approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Protein Folding Thermodynamics: A New Computational Approach

Chong, Song-Ho ; Ham, Sihyun

The journal of physical chemistry. B, 2014-05, Vol.118 (19), p.5017-5025 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
6
Physical Re-Examination of Parameters on a Molecular Collisions-Based Diffusion Model for Diffusivity Prediction in Polymers
Physical Re-Examination of Parameters on a Molecular Collisions-Based Diffusion Model for Diffusivity Prediction in Polymers
Material Type:
Artigo 		Adicionar ao Meu Espaço

Physical Re-Examination of Parameters on a Molecular Collisions-Based Diffusion Model for Diffusivity Prediction in Polymers

Ohashi, Hidenori ; Tamaki, Takanori ; Yamaguchi, Takeo

The journal of physical chemistry. B, 2011-12, Vol.115 (51), p.15181-15187 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
7
DNA and Estrogen Receptor Interaction Revealed by Fragment Molecular Orbital Calculations
DNA and Estrogen Receptor Interaction Revealed by Fragment Molecular Orbital Calculations
Material Type:
Artigo 		Adicionar ao Meu Espaço

DNA and Estrogen Receptor Interaction Revealed by Fragment Molecular Orbital Calculations

Watanabe, Toshio ; Inadomi, Yuichi ; Fukuzawa, Kaori ; Nakano, Tatsuya ; Tanaka, Shigenori ; Nilsson, Lennart ; Nagashima, Umpei

The journal of physical chemistry. B, 2007-08, Vol.111 (32), p.9621-9627 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por
8
A QM/MM Study of the Conformational Equilibria in the Chorismate Mutase Active Site. The Role of the Enzymatic Deformation Energy Contribution
A QM/MM Study of the Conformational Equilibria in the Chorismate Mutase Active Site. The Role of the Enzymatic Deformation Energy Contribution
Material Type:
Artigo 		Adicionar ao Meu Espaço

A QM/MM Study of the Conformational Equilibria in the Chorismate Mutase Active Site. The Role of the Enzymatic Deformation Energy Contribution

Martí, Sergio ; Andrés, Juan ; Moliner, Vicent ; Silla, Estanislao ; Tuñón, Iñaki ; Bertrán, Juan

The journal of physical chemistry. B, 2000-11, Vol.104 (47), p.11308-11315 [Periódico revisado por pares]

American Chemical Society

Texto completo disponível

Citações Citado por
9
Energy Transfer and Relaxation Dynamics in Light-Harvesting Antenna Complexes of Photosynthetic Bacteria
Energy Transfer and Relaxation Dynamics in Light-Harvesting Antenna Complexes of Photosynthetic Bacteria
Material Type:
Artigo 		Adicionar ao Meu Espaço

Energy Transfer and Relaxation Dynamics in Light-Harvesting Antenna Complexes of Photosynthetic Bacteria

Kuehn, O. ; Sundstroem, V.

Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical, 1997-04, Vol.101 (17), p.3432-3440 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível

Citações Citado por

Personalize Seus Resultados

  1. Editar

Refine Search Results

Expandir Meus Resultados

  1.   

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

Buscando em bases de dados remotas. Favor aguardar.