Ru(II) "piano-stool" complexes belong to group of biologically active metallocomplexes with promising anticancer activity. In this study, we investigate the reaction mechanism of [(η(6)-benzene)Ru(II)(en)(H(2)O)](2+) (en = ethylenediamine) complex binding to DNA by hybrid QM/MM computational techniques. The reaction when the Ru(II) complex is coordinated on N7-guanine from major groove is explo...

A 0.25m, four-layer-metal, 1.5-V, 600-MHz, fully depleted (FD) silicon-on-insulator (SOI) CMOS 64-bit ALPHA1 microprocessor integrating 9.66 million transistors on a 209-mm silicon die has been developed leveraging the existing bulk design. FD-SOI technology is used because it has better immunity for dynamic leakage current than partially depleted SOI in highspeed dynamic circuits without body ...

We proposed a 3D model to evaluate the role of platybasia and clivus length in the development of Chiari I (CI). Using a computer aided design software, two DICOM files of a normal CT scan and MR were used to simulate different clivus lengths (CL) and also different basal angles (BA). The final posterior fossa volume (PFV) was obtained for each variation and the percentage of the volumetric cha...

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mrev management revue , Seite 209 - 212

The crystal structure of human muscle creatine kinase has been determined by the molecular-replacement method and refined at 3.5A resolution. The structures of both the monomer and the dimer closely resemble those of the other known structures in the creatine kinase family. Two types of dimers, one with a non-crystallographic twofold symmetry axis and the other with a crystallographic twofold s...

The mathematical formalisms for classical and quantum physics look nothing alike. This is surely one reason why physics students find it difficult to learn quantum mechanics. It is surely also one of the reasons why QM fascinates philosophers — because its formalism seems to resist comparison with the formalism of classical physics. Our goal: We want to overcome this situation of apparent Kuhni...

In this work, we have tested 30 different adsorption situations in several coverage scenarios for the 1-amino-3-cyclopentene (ACP) molecule on the Si(100) surface. We have used a five-spot testing zone inserted in the high-level part of a quantum-mechanical/quantum-mechanical study performed in a big cluster. By defining several different scenarios, each one with a typical adsorption energy, we...

Ferdinand Jamitzky Leibniz Supercomputing Centre (LRZ) Boltzmannstrasse 1 85748 Garching, Germany [email protected] Helmut Satzger Leibniz Supercomputing Centre (LRZ) Boltzmannstrasse 1 85748 Garching, Germany [email protected] Gerald Mathias Ludwig-MaximiliansUniversität München, Lehrstuhl für BioMolekulare Optik Oettingenstrasse 67 80538 München, Germany [email protected]...