End-capped α-helices as modulators of protein function

Repositioning of Transmembrane α-Helices during Membrane Protein Folding

0022-2836/$ see front matter © 2010 E We have determined the optimal placement of individual transmembrane helices in the Pyrococcus horikoshii GltPh glutamate transporter homolog in the membrane. The results are in close agreement with theoretical predictions based on hydrophobicity, but do not, in general, match the known three-dimensional structure, suggesting that transmembrane helices can ...

Identification of Α-helices from Low Resolution Protein Density Maps

This paper presents a novel methodology to analyze low resolution (e.g., 6Å to 10Å) protein density map, that can be obtained through electron cryomicroscopy. At such resolutions, it is often not possible to recognize the backbone chain of the protein, but it is possible to identify individual structural elements (e.g., α-helices and β-sheets). The methodology proposed in this paper performs gr...

Thrombospondins as matricellular modulators of cell function.

Docking study of triphenylphosphonium cations as estrogen receptor α modulators

Virtual high throughput screening (VHTS) was performed to assess possible interactions which might occur between commercially available triphenylphosphonium (TPP) cations and estrogen receptor alpha (ERalpha) that could be exploited to design novel ERalpha modulators. One application of TPP cations is for delivering bioactive molecules to targets in mitochondria as the large membrane potential ...

Geometric Analysis of Alloreactive HLA α-Helices

Molecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC α-helices comprising the peptide binding region recognized by T cells. We build upon this work and used several spline models to approximate the ...