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Pentameric ligand-gated ion channels from the Cys-loop family mediate fast chemo-electrical transduction, but the mechanisms of ion permeation and gating of these membrane proteins remain elusive. Here we present the X-ray structure at 2.9 A resolution of ...
We present a new method to incorporate electrostatic interactions in coarse-grained representations of proteins. The model is based on a topologically reconstructed multipolar expansion of the all-atom centers of charge, specifically of the backbone dipole ...
This contribution describes the preparation of nonfouling polypeptide brushes via surface-initiated ring-opening polymerization of oligo(ethylene glycol) modified L-lysine N-carboxyanhydrides. Circular dichroism experiments indicated that these surface-anc ...
The rapid growing number of patients diagnosed with a neurodegenerative disease and more particularly with Alzheimer's disease (AD) has stimulated intensive research in determining and understanding biological phenomena causing such devastating diseases an ...
1,1-Bi(endo,exo,syn-pentacyclo[3.3.3.02,4.06,8.09,11]undecyl)[1,1-bi(trishomobarrelenyl)] (4) has been prepared as a 1:1 mixture of its meso- and d,l-diastereomers in six steps from trishomobarrelene 1 via the amine 5, the N,N-bis(trishomobarrelenyl)sulfam ...
Because of the importance of helices in the secondary structure of proteins, we have undertaken a study of their spectroscopy, fragmentation patterns and conformations in the gas phase. In this work, we describe the effects of substitution at the N-terminu ...
Molecular dynamics (MD) simulations have increasingly contributed to the understanding of biomolecular processes, allowing for predictions of thermodynamic and structural properties. Unfortunately, the holy grail of protein structure prediction was soon fo ...
Peptide based and peptide hybrid materials represent two interesting and challenging classes of biomaterials. Both classes consist of and contain, respectively, one or more polypeptide blocks, endowing the resulting polymers with enhanced self-assembly pro ...
A series of novel peptide N-caps was designed with an emphasis on ease of synthesis and an abundance of hydrogen bond acceptors. Different scaffolds based on sugars, cyclic hydrocarbons, and amino acids are developed with a variety of hydrogen bond accepto ...
Self-assembly in the bulk of a series of hybrid triblock copolymers formed by a poly(9,9-dihexylfluorene-2,7-diyl) (PHF) middle block and two poly(gamma-benzyl-L-glutamate) (PBLG) end blocks has been studied. Since the alpha-helical secondary structure of ...
