An analytical algorithm for the rapid determination of the solvent accessibility of points in a three-dimensional lattice around a solute molecule

1995 ◽  
Vol 16 (6) ◽  
pp. 743-757 ◽  
Author(s):  
Tony You ◽  
Donald Bashford
2000 ◽  
Vol 6 (S2) ◽  
pp. 1182-1183
Author(s):  
Elizabeth M. Wilson-Kubalek

Electron microscopy (EM) has become an increasingly powerful method for the determination of three-dimensional (3D) structures of proteins and macromolecular complexes. EM offers advantages over X-ray crystallography and NMR for obtaining structural information about proteins in physiological conditions, as components of large assemblies, that cannot be obtained in large quantity, or that fail to yield 3D crystals. EM has been used to obtain structural data from images of isolated molecules and molecular complexes, two-dimensional (2D) protein crystals, and helical protein arrays. Helically arranged proteins allow the most rapid determination of 3D maps because they contain a complete range of equally spaced molecular views, therefore no tilting of the sample with respect to the electron beam is required. However, so far 3D structure determination of helical assemblies has been limited to proteins that naturally adopt this organization and to proteins that fortuitously crystallize as helices.


2014 ◽  
Vol 651-653 ◽  
pp. 362-366
Author(s):  
Jin Hui Zhao ◽  
Hai Bin Xiao ◽  
Hai Chao Yuan ◽  
Qian Hong ◽  
Mu Hua Liu

The triazophos is a kind of organic phosphorus pesticide, the quantitative determination model based on three-dimensional fluorescence spectroscopy coupled with alternating trilinear decomposition (ATLD) was explored for realizing the rapid determination of triazophos content in duck meat. Firstly, three-dimensional fluorescence spectra of duck meat extract, triazophos standard solution and duck meat extract containing triazophos were explored, respectively. Secondly, the fluorescence quenching phenomenon of the triazophos in duck meat extract was analyzed. Lastly, the number of components for three linear decomposition of ATLD was set as 2 by using the core consistency diagnostic, and the calibration curve between the relative fluorescence intensity and the actual concentration of the triazophos was established by using ATLD. The experimental results showed that the determination coefficient (R2) and the root mean squared error of prediction (RMSEP) for the proposed model in this paper were 0.9741 and 0.764 respectively, and it was feasible to predict the triazophos content in duck meat combining with three-demensional fluorescence spectroscopy and ATLD.


Urology ◽  
1997 ◽  
Vol 50 (3) ◽  
pp. 341-348 ◽  
Author(s):  
Leonard S. Marks ◽  
Frederick J. Dorey ◽  
Maria Luz Macairan ◽  
Cindy Park ◽  
Jean B. deKernion

2019 ◽  
Author(s):  
Kalli Kappel ◽  
Kaiming Zhang ◽  
Zhaoming Su ◽  
Wipapat Kladwang ◽  
Shanshan Li ◽  
...  

AbstractThe discovery and design of biologically important RNA molecules is dramatically outpacing three-dimensional structural characterization. To address this challenge, we present Ribosolve, a hybrid method integrating moderate-resolution cryo-EM maps, chemical mapping, and Rosetta computational modeling, and demonstrate its application to thirteen previously unknown 119-to 338-nucleotide protein-free RNA-only structures: full-length Tetrahymena ribozyme, hc16 ligase with and without substrate, full-length V. cholerae and F. nucleatum glycine riboswitch aptamers with and without glycine, Mycobacterium SAM-IV riboswitch with and without S-adenosylmethionine, and computer-designed spinach-TTR-3, eterna3D-JR_1, and ATP-TTR-3 with and without AMP. Blind challenges, prospective compensatory mutagenesis, internal controls, and simulation benchmarks validate the Ribosolve models and establish that modeling convergence is quantitatively predictive of model accuracy. These results demonstrate that RNA-only 3D structure determination can be rapid and routine.


Sign in / Sign up

Export Citation Format

Share Document