Conformational Map
Mostrando 1-12 de 83 artigos, teses e dissertações.
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1. Benzodioxol Group Driving Supramolecular Arrangement of Two Tri-Methoxy Chalcones onto Β-Secretase 1 Enzyme Active Site
Chalcones are compounds with wide interesting biological activities including Alzheimer’s disease. A comparative study was performed between the chalcones (E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one regarding the influence of benzodioxol group on their molecu
J. Braz. Chem. Soc.. Publicado em: 16/09/2019
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2. Determinação teórica das conformações mais estáveis da trealose em solução aquosa
In this work the most abundant trehalose conformers for the isolated molecule as well as for the water solvated system are selected. The theoretical tecniques employed are ab initio calculations in the gas phase and in aqueous solution using the PCM model. A conformational map is built for the glycosidic angles (phi and psi) and the search for the most abund
Química Nova. Publicado em: 2008
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3. Development of epitope specific recombinant peptides of the Rhipicephalus (Boophilus) microplus selected by Phage Display libraries / Desenvolvimento de peptídeos recombinantes epítopos específicos do Rhipicephalus (Boophilus) microplus selecionados por bibliotecas de Phage Display
Ticks are implicated in serious economic losses to animal production worldwide in the order of billions of dollars. Although many antigens have been in vaccine tests, none has been effective in the control of ticks, which justifies the development of new antigens as well as new vaccine strategies. Phage Display techniques have been widely employed to map epi
Publicado em: 2008
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4. Determinação das conformações mais estáveis da isomaltose α-Dglicopiranosil-( 1→6)-D-glicose. / Determination of the most stable conformations of isomaltose α-Dglucopyranosyl-( 1→6)-D-glucose.
Sabendo-se que a conformação das moléculas de dissacarídeos é definida pela energia de rotação da ligação glicosídica definida pelos ângulos diedros Ø (phi) e Ψ (psi) (e Ώ(ômega), quando este existir), o nosso trabalho consistiu na definição de um conjunto de valores de ângulos que permitem à molécula da isomaltose alcançar confo
Publicado em: 2007
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5. Estudo QSAR de inibidores da secreção gastrica e simulação molecular da inibição
O estudo QSAR de inibidores da secreção gástrica e simulação molecular da inibição consiste em quatro fases. Na fase um busca-se validação dos métodos de simulação de solvatação. Na fase dois, a elaboração de modelos de relações quantitativas entre estrutura química e atividade biológica (QSAR) para compostos moduladores da secreção gá
Publicado em: 2004
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6. Protein conformational space in higher order ϕ-Ψ maps
We have mapped protein conformational space from two to seven residue lengths by employing multidimensional scaling on a data matrix composed of pair-wise angular distances for multiple ϕ-Ψ values collected from high-resolution protein structures. The resulting global maps show clustering of peptide conformations that reveals a dramatic reduction of confor
National Academy of Sciences.
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7. Conformational changes in the C terminus of Shaker K+ channel bound to the rat Kvβ2-subunit
We studied the structure of the C terminus of the Shaker potassium channel. The 3D structures of the full-length and a C-terminal deletion (ΔC) mutant of Shaker were determined by electron microscopy and single-particle analysis. The difference map between the full-length and the truncated channels clearly shows a compact density, located on the sides of th
National Academy of Sciences.
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8. A possible folding pathway of bovine pancreatic RNase.
A theoretical pathway for the folding of RNase into its native conformation is derived from the contact map computed from crystallographic coordinates. The pathway is based on the hypothesis of Tanaka and Scheraga, according to which localized conformations stabilized by short- and medium-range interactions form before those conformational features that are
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9. Mapping the interaction surface of a membrane protein: Unveiling the conformational switch of phospholamban in calcium pump regulation
We have used magnetic resonance to map the interaction surface of an integral membrane protein for its regulatory target, an integral membrane enzyme. Phospholamban (PLN) regulates cardiac contractility via its modulation of sarco(endo)plasmic reticulum calcium ATPase (SERCA) activity. Impairment of this regulatory process causes heart failure. To map the mo
National Academy of Sciences.
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10. An Approach to Conformational Analysis of Peptides and Proteins in Solution Based on a Combination of Nuclear Magnetic Resonance Spectroscopy and Conformational Energy Calculations
Simple criteria, based on the combined use of nmr spectral parameters and potential energy maps, are proposed for the conformational analysis of polypeptides and proteins. Experimentally determined coupling constants 3JNC for the N-Cα bond are consistent with the Karplus-Bystrov relationship. It is proposed therefore that 3JNC can be used to distinguish (a)
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11. Conformational flexibility of bacterial RNA polymerase
The structure of Escherichia coli core RNA polymerase (RNAP) was determined by cryo-electron microscopy and image processing of helical crystals to a nominal resolution of 15 Å. Because of the high sequence conservation between the core RNAP subunits, we were able to interpret the E. coli structure in relation to the high-resolution x-ray structure of Ther
The National Academy of Sciences.
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12. Genetic Linkage Mapping of Zebrafish Genes and ESTs
Genetic screens in zebrafish (Danio rerio) have isolated mutations in hundreds of genes essential for vertebrate development, physiology, and behavior. We have constructed a genetic linkage map that will facilitate the identification of candidate genes for these mutations and allow comparisons among the genomes of zebrafish and other vertebrates. On this map
Cold Spring Harbor Laboratory Press.