S. F. Lienin

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Intramolecular reorientational dynamics of proteins are described in terms of reorientational quasiharmonic modes. These modes provide important insight into anisotropic and collective axial fluctuations of distinct molecular fragments, and they represent a highly compact description of intramolecular protein motions that are spectroscopically observable(More)
The interpretation of nuclear spin relaxation data of biomolecules often requires the accurate knowledge of chemical shielding anisotropy (CSA) tensors, which significantly depend on the environment and on intramolecular dynamics. CSA tensors are studied in this work by density functional theory and by molecular dynamics simulations. It is demonstrated that(More)
Significant progress in NMR methodology for measuring spin-relaxation data at many different 15N and 13C sites in proteins demands new and increasingly sophisticated ways of data interpretation. Recent work of our group concerning the use of anisotropic and reorientational collective motional models for spin-relaxation interpretation is briefly reviewed and(More)
Introduction of alternative fuels in the passenger car fleet is widely discussed in the light of emission reductions. Worldwide experiences show that the market introduction depends on the actions of many stakeholders, like car industry, fuel companies and consumers. The process demands well-timed actions and investments, whilst economic chances and risks(More)
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