SEARCH · Engineering Papers
Results for “protein structures”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
g -Tensor Directions in the Protein Structural Frame of Hyperthermophilic Archaeal Reduced Rieske-Type Ferredoxin Explored by 13 C Pulsed Electron Paramagnetic Resonance
Not provided.
Predicting Iron–Sulfur Cluster Redox Potentials: A Simple Model Derived from Protein Structures
Not Available
Characterizing the Secondary Protein Structure of Black Widow Dragline Silk Using Solid-State NMR and X-ray Diffraction
Abstract not provided
Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease
Abstract not provided.
A microfluidic approach for protein structure determination at room temperature via on-chip anomalous diffraction
Abstract not provided
Rubella virus capsid protein structure and its role in virus assembly and infection
Abstract not provided
Lipid functions in cytochrome bc complexes: an odd evolutionary transition in a membrane protein structure
Abstract not provided
A direct approach to estimate the anisotropy of protein structures from small-angle X-ray scattering
In the field of small-angle X-ray scattering (SAXS), the task of estimating the size of particles in solution is usually synonymous with the Guinier plot. The approximation behind this plot, developed by Guinier in 1939, provides a simple yet accurate characterization of the scattering behavior of particles at low scattering angle or momentum transfer q , together with a computationally efficient way of inferring their radii of gyration R G . Moreover, this approximation is valid beyond spherical scatterers, making its use ubiquitous in the SAXS world. However, when it is important to estimate further particle characteristics, such as the anisotropy of the scatterer's shape, no similar or extended approximations are available. Existing tools to characterize the shape of scatterers rely either on prior knowledge of the scatterers' geometry or on iterative procedures to infer the particle shape ab initio . In this work, a low-angle approximation of the scattering intensity I ( q ) for ellipsoids of revolution is developed and it is shown how the size and anisotropy information can be extracted from the parameters of that approximation. The goal of the approximation is not to estimate a particle's full structure in detail, and thus this approach will be less accurate than well known iterative and ab initio reconstruction tools available in the literature. However, it can be considered as an extension of the Guinier approximation and used to generate initial estimates for the aforementioned iterative techniques, which usually rely on R G and D max for initialization. This formulation also demonstrates that nonlinearity in the Guinier plot can arise from anisotropy in the scattering particles. Beyond ideal ellipsoids of revolution, it is shown that this approximation can be used to estimate the size and shape of molecules in solution, in both computational and experimental scenarios. The limits of the approach are discussed and the impact of a particle's anisotropy in the Guinier estimate of R G is assessed.
Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data
Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Furthermore, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.
High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography (CXIDB ID 17)
Explore the source record for details and available documents.
Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Please check the README file inside the metadata directory for more information about the dataset.
Solving protein structure from sparse serial microcrystal diffraction data at a storage ring synchrotron source
This dataset consists of 79,992 diffraction patterns stored in cbf format. A step-by-step tutorial on the reconstruction of the Bragg intensities using the EMC algorithm (Loh & Elser 2009) is described [here](https://github.com/tl578/EMC-for-SMX/wiki). We thank the authors of Martin-Garcia et al. (2017) for their gracious access to the data. Reduced data files: For those who would like to try an EMC reconstruction immediately, the data reduction step can be skipped by downloading the reduced data files provided by us. See [here](https://github.com/tl578/EMC-for-SMX/wiki/Data-reduction#skipping-data-reduction) for more details.
Protein eXplosion Imaging (PXI): Protein Structures from Laser-Driven Explosions
Please check the README.md and citation for more information about the dataset.
synthesis of selenium- and tellurium-containing tryptophan analogs for the elucidation of protein structure and function
Abstract Not Provided