Global ETD Search

11	Imaginary-Time Approach to the Kondo Effect out of Equilibrium / Imaginärzeit-Methode zur Beschreibung des Kondo-Effekts im Nichtgleichgewicht Dirks, Andreas 19 June 2012 (has links) No description available. 530 Physik RDI 240 RDI 700 RDI 800 Physics Quantenpunkt Kondo Nichtgleichgewicht Matsubara QMC quantum dot Kondo nonequilibrium Matsubara QMC 33.10 33.28 33.61 33.23 33.06
12	Computer simulation meets experiment: Molecular dynamics simulaitons of spin labeled proteins. Gajula, M.N.V. Prasad 18 March 2008 (has links) EPR spectroscopy of site-directed spin labeled proteins is extremely informative in the studies of protein dynamics; however, it is difficult to interpret the spectra in terms of the conformational dynamics in atomic detail.In the present work we aimed to investigate the site-specific structural dynamics of proteins by using MD simulations upon analyzing and interpreting the EPR data. The major goal of this work is to know how far the computer simulations can meet the experiments. As a first step, MD simulations are performed to identify the location and orientation of the tyrosine radical in the R2 subunit of ribonucleotide reductase. The MD results show that the tyrosine is moving away from the diiron center in its radical state. This data is in agreement with EPR results and suggests reorientation of the tyrosine radical when compared to its neutral state. In further studies, the behavior of a methanethiosulfonate spin label, R1, in various environments of the protein is characterized by using MD simulations. RMSD analysis and angle ß distributions of the nitroxide show that R1 in buried sites in a protein helix is significantly immobile and in surface exposed sites it is highly mobile. Analyses of MD data suggest that internal rotations of x4 and x5 dihedrals of R1 are dominant in the R1 dynamics.Our studies also show that interaction with the surrounding residues show significant influence on the dynamics of R1. MD simulations data of the vinculin tail protein, both in water and in vacuo, are compared to the experimental results for further analysis of 12 different R1 sites in various environments.In a study on the photosynthetic reaction center(RC),MD is used to identify the location of the R1 binding site (H156)and thereby exploring the conformational dynamics in the RC protein upon light activation. The distance between the primary quinone, QA, and H156R1 determined from MD is in reasonable agreement with that measured by EPR. Molecular dynamics EPR MTSSL Spin label Tyrosine radical Photosynthetic RC Distance measurements 33.07 - Spektroskopie 42.12 - Biophysik 29 - Physik, Astronomie ddc:570
13	Analytische und numerische Untersuchung von direkten und inversen Randwertproblemen in Gebieten mit Ecken mittels Integralgleichungsmethoden / Analytical and numerical research on direct and inverse boundary value problems in domains with corners using integral equation methods Vogt, Andreas 31 October 2001 (has links) No description available. 510 Mathematik Mathematics and Computer Science Inverse Probleme Randwertprobleme Gebiete mit Ecken Integralgleichungen Newtonverfahren Streuprobleme inverse problems boundary value problems domains with corners integral equations Newton method scattering theory 31.40 31.45 31.46 33.06 EGFN EGFR EGFY
14	Verformungsinduzierte Strukturänderungen bei amorphem Ni0.5Zr0.5 in Molekulardynamik-Simulationen / Deformation-induced structural changes of amorphous Ni0.5Zr0.5 in molecular-dynamic simulations Brinkmann, Kevin 31 October 2006 (has links) No description available. 530 Physik Mathematics and Computer Science metallische Gläser plastische Verformung Molekulardynamik-Simulationen metallic glasses plastic deformation molecular-dynamics simulation 33.66 33.06
15	Dynamical modeling with application to friction phenomena / Dynamische Modellierung mit Anwendung auf Reibungsphaenomene Hornstein, Alexander 09 November 2005 (has links) No description available. 530 Physik Mathematics and Computer Science dynamische Modellierung statische Modellierung Synchronisation Rekurrente Neuronale Netze Reibung dynamical modeling static modeling synchronization recurrent neural networks friction 33.06
16	Nächste-Nachbar basierte Methoden in der nichtlinearen Zeitreihenanalyse / Nearest-neighbor based methods for nonlinear time-series analysis Merkwirth, Christian 02 November 2000 (has links) No description available. 530 Physik Mathematics and Computer Science nichtlineare Dynamik raum-zeitliche Dynamik Vorhersage Modellierung nichtlineare Zeitreihenanalyse Nächster-Nachbar-Algorithmus nonlinear dynamics spatio-temporal dynamics prediction modeling nonlinear time-series analysis nearest-neighbor algorithm 33.06 31.76
17	Functional Domain Motions and Processivity in Bacterial Hyaluronate Lyase / A Molecular Dynamics study / Functional Domain Motions and Processivity in Bacterial Hyaluronate Lyase / A Molecular Dynamics study Joshi, Harshad 04 May 2007 (has links) No description available. 530 Physik Mathematics and Computer Science Streptococcus Pneumoniae bakterielle Hyaluronidasen Hyaluronsaeure Molekular dynamiksimulationen Essential Dynamics kollektive Bewegungen Force Probe MD. Streptococcus Pneumoniae bacterial hyaluronidases hyaluronan molecular dynamics essential dynamics collective motions Force Probe Molecular Dynamics. 42.12 33.19 33.06 42.13 WCC000
18	Enhanced Conformational Sampling of Proteins Using TEE-REX / Verbessertes Sampling von Proteinkonformationen durch TEE-REX Kubitzki, Marcus 11 December 2007 (has links) No description available. 530 Physik WC 000 Mathematics and Natural Science Molekulardynamik Proteindynamik Computersimulation Simulationsmethodik Hauptkomponentenanalyse molecular dynamics protein dynamics simulation methodology replica exchange essential dynamics principal component analysis conformational sampling 42.12 33.10 33.06 33.25
19	Integral Equation Methods for Rough Surface Scattering Problems in three Dimensions / Integralgleichungsmethoden für Streuprobleme an rauhen Oberflächen in drei Dimensionen Heinemeyer, Eric 10 January 2008 (has links) No description available. 510 Mathematik EDFJ 050 EDFJ 250 EEF 000 Mathematics and Natural Science rough surface scattering boundary integral equations helmholtz equation fast matrix-vector multiplication Streuung an rauhen Oberflächen Randintegralgleichungen Helmholtz Gleichung schnelle Matrix-Vector-Multiplikation 31.80 31.76 33.06 33.12
20	Preconditioned Newton methods for ill-posed problems / Vorkonditionierte Newton-Verfahren für schlecht gestellte Probleme Langer, Stefan 21 June 2007 (has links) No description available. 510 Mathematik Mathematics and Computer Science 31.76 31.80 31.45 33.06 EEHA 520: Ill-posed problems EGFF 220: Ill-posedness electromagnetic theory: General}

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