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Statistical uncertainties in determining the temperatures of hot (0.5 keV to 10 keV) coronal plasmas are investigated. The statistical precision of various spectral temperature diagnostics is established by analyzing synthetic ASCA…
Multicore fibers (MCF) are perspective media for telecommunications, sensing, imaging and laser technologies. Here, the effect of beam stirring between weakly coupled cores is observed for sub-nanosecond transform-limited pulses of several…
The intrinsic property of proteins to form structural motifs such as alpha-helices and beta-sheets leads to a complex phase behavior in which proteins can assemble into various types of aggregates including crystals, liquidlike phases of…
In this dissertation, a fully object-oriented, fully relativistic, multi-dimensional Particle-In-Cell code was developed and applied to answer key questions in plasma-based accelerator research. The simulations increase the understanding of…
Nine stellarator configurations, three quasiaxisymmetric, three quasihelically symmetric and three non-quasisymmetric are scaled to ARIES-CS size and analyzed for energetic particle content. The best performing configurations with regard to…
Thin liquid films with floating active protein machines are considered. Cyclic mechanical motions within the machines, representing microscopic swimmers, lead to molecular propulsion forces applied to the air-liquid interface. We show that,…
We present an extension to the iterative Boltzmann inversion method to generate coarse-grained models with three-body intramolecular potentials that can reproduce correlations in structural distribution functions. The coarse-grained…
Differential microcalorimetric measurements have been performed in aqueous dispersions of dimyristoylphosphatidylcholine (DMPC) multilamellar vesicles in a wide range of temperatures covering the whole transition between the lamellar gel…
Realization of tunable superconductivity with concomitant nontrivial band topology is conceptually intriguing and highly desirable for superconducting devices and topological quantum computation. Based on first-principles calculations, here…
The native structures of proteins, except for notable exceptions of intrinsically disordered proteins, in general take their most stable conformation in the physiological condition to maintain their structural framework so that their…
We analyze the structural behavior of a single polymer chain grafted to an attractive, flexible surface. Our model is composed of a coarse-grained bead-and-spring polymer and a tethered membrane. By means of extensive parallel tempering…
Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential.…
Enhancing the precision of segmenting coronary atherosclerotic plaques from CT Angiography (CTA) images is pivotal for advanced Coronary Atherosclerosis Analysis (CAA), which distinctively relies on the analysis of vessel cross-section…
We introduce a powerful iterative algorithm to compute protein folding pathways, with realistic all-atom force fields. Using the path integral formalism, we explicitly derive a modified Langevin equation which samples directly the ensemble…
Thermodynamic profiles, based on bioinformatic hydropathicity scales and membrane-fitted sliding windows, exhibit accurately level sets of hydrophobic peaks or valleys in the constant fragment Fc of monoclonal antibodies. These sets provide…
Any architecture for practical quantum computing must be scalable. An attractive approach is to create multiple cores, computing regions of fixed size that are well-spaced but interlinked with communication channels. This exploded…
Temperature estimation of interacting quantum many-body systems is both a challenging task and topic of interest in quantum metrology, given that critical behavior at phase transitions can boost the metrological sensitivity. Here we study…
Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…
Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances.…
Recent observational and theoretical investigations have emphasised the importance of filamentary networks within molecular clouds as sites of star formation. Since such environments are more complex than those of isolated cores, it is…