883 resultados para Simulation and modelling


Relevância:

100.00% 100.00%

Publicador:

Resumo:

DNA telomeric repeats in mammalian cells are transcribed to guanine-rich RNA sequences, which adopt parallel-stranded G-quadruplexes with a propeller-like fold. The successful crystallization and structure analysis of a bimolecular human telomeric RNA G-quadruplex, folded into the same crystalline environment as an equivalent DNA oligonucleotide sequence, is reported here. The structural basis of the increased stability of RNA telomeric quadruplexes over DNA ones and their preference for parallel topologies is described here. Our findings suggest that the 2'-OH hydroxyl groups in the RNA quadruplex play a significant role in redefining hydration structure in the grooves and the hydrogen bonding networks. The preference for specific nucleotides to populate the C3'-endo sugar pucker domain is accommodated by alterations in the phosphate backbone, which leads to greater stability through enhanced hydrogen bonding networks. Molecular dynamics simulations on the DNA and RNA quadruplexes are consistent with these findings. The computations, based on the native crystal structure, provide an explanation for RNA G-quadruplex ligand binding selectivity for a group of naphthalene diimide ligands as compared to the DNA G-quadruplex.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Simple pictures under everyday viewing conditions evoke impressions of surfaces oriented in depth. These impressions have been studied by measuring the slants of perceived surfaces, with probes (rotating arrowheads) designed to respect the distinctive character of depicted scenes. Converging arguments indicated that the perceived orientation of the probes was near theoretical values. A series of experiments showed that subjects formed well-defined impressions of depicted surface orientation. The literature suggests that perceived objects might be flattened', but that was not the general rule. Instead, both mean slant and uncertainty fitted models in which slant estimates are derived in a relatively straightforward way from local relations in the picture. Simplifying pictures tended to make orientation estimates less certain, particularly away from the natural anchor points (vertical and horizontal). The shape of the object affected all aspects of the observed-object/percept relationship. Individual differences were large, and suggest that different individuals used different relationships as a basis for their estimates. Overall, data suggest that everyday picture perception is strongly selective and weakly integrative. In particular, depicted slant is estimated by finding a picture feature which will be strongly related to it if the object contains a particular regularity, not by additive integration of evidence from multiple directly and indirectly relevant sources.