Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"cation-pi"”.
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Application and Development of Molecular Dynamics Methods to Examine the Energy Landscapes of Protein Folding and Transient Protein -Protein Complexes
… contacts by the water molecules. The cation-pi contact and the van der Waals interactions are the last to break. Computation of the docking free energy, by taking into the account the electrostatic, van der Waals, and entropic contributions, matched well with the experimental value. …
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Solid-state nuclear magnetic resonance investigations of the influenza M2 protein : structure and dynamics characterization of channel gating and conduction
… and BM2 proton channels bound to native-like lipid bilayers. Using pH-dependent 15N chemical shifts of the conserved Histidine residue, we have found that the proton conduction mechanism is the same in all of the M2 channels (WT AM2, S3 IN AM2, BM2) studied, and that the conduction cycle …
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Redox active tyrosine residues in biomimetic beta hairpins
… fragments of ribonuclease A and tendamistat pioneered the use of biomimetic peptides for determining how the polypeptide sequence stabilizes formation of alpha helices and beta hairpins in aqueous and organic solutions. A set of rules for constructing stable alpha helices have now been …
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Strukturelle und funktionelle Untersuchungen zum m3G-Cap-vermittelten Kernimport spleißosomaler U snRNPs durch Snurportin1
… der positiv geladenen Cap-Base mit den pi-Elektronensystemen des benachbartenTrp 276 und der unmethylierten snRNA-Base nennt sich Kationen-pi-Interaktion. Trp 107 liegt senkrecht über dem Basenstapel und geht zusätzlich van-der-Waals Interaktionen mit den Methylgruppen an Position N2 der …
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Experimental and Computational Studies in Bioorganic and Synthetic Organic Chemistry
Cationâ Ï interaction is an important determinant in protein structure and function. Among the three proteinogenic aromatic amino acids, tryptophan (Trp) is the strongest cationâ Ï donor. We reported the asymmetric syntheses of tryptophan regioisomers in which the amino acid side chain is attached …
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Molecular modeling and simulations of viruses: structure, dynamics and antibody design
… the detrimental effect of another mutation despite being 20 Angstrom apart. The human body has two types of immune systems to prevent and combat viral infection: innate and adaptive immune systems. Lung surfactant proteins are part of the innate immune system, and they act at the front-end of …