Carsten Wittekindt

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Sirtuins are NAD-dependent histone deacetylases, which cleave the acetyl-group from acetylated proteins, such as histones but also the acetyl groups from several transcription factors, and in this way can change their activities. Of all seven mammalian SirTs, the human sirtuin SirT1 has been the most extensively studied. However, there is no crystal(More)
A special and important task in medicinal implant technology is to prevent the material from fouling or make it compatible for tissues by coating the material with functionalized lipid biomolecules. In order to rationalize the design of such new materials structural information about the film is needed. In this presentation we give an account on the(More)
The description of chemical structures as a collection of connected molecular fragments is a basic requirement of coarse grained simulation methods like molecular fragment dynamics. These methods use molecular fragments as their basic interacting entities ("atoms ") and allow the modelling and investigation of very large chemical systems. Therefore a(More)
Theory, validation, and applications of a novel approach for the quantification of drug similarity – COSMOsim-are described. This structure-free method uses the surface polarities as defined in the quantum chemically based conductor-like screening model for realistic solvation (COSMO-RS). The histograms of these surface polarities, the so-called sigma(More)
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