evaluat ion of s imilarity between pairs of three - d imens ional protein structures uti l izing temperature factors
نویسنده
چکیده
A probabilistic measure of structural similarity is proposed which takes into account the degree of spatial localization of atoms expressed in atomic displacement parameters.
منابع مشابه
On the Hardness of Approximate Reasoning
Many AI problems, when formulated, reduce to evaluat ing the probabi l i ty that a preposit ional expression is t rue. In this paper we show tha t this problem is computat ional ly int ractable even in surpr is ingly restricted cases and even if we settle for an approx imat ion to this probabi l i ty . We consider various methods used in approximate reasoning such as comput ing degree of belief...
متن کاملSelective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study
In this article, theoretical studies on the selective complexation of the halide ions (F¯, Cl¯ and Br¯) and ion pairs (Na+F¯, Na+Cl¯ and Na+Br¯) with the cyclic nano-hexapeptide (CP) composed of L-proline have been performed in the gas phase. In order to calculate the dispersion interaction energies of the CP and ions, DFT-D3 calculations at the M05-2X-D3/6-31G(d) level was employed. Based on t...
متن کاملPurification of the rep Protein of Escherichia COG AN ATPase WHICH SEPARATES DUPLEX DNA STRANDS IN ADVANCE
The product of the rep gene o f Escherichia coli catalytically separa tes 4x174 duplex DNA s t rands in advance of the i r replication, uti l izing ATP in the process (Scott, J. F., Eisenberg, S., Bertsch, L. L., and Kornberg, A. (1977) Proc. Natl. Acad. Sci. U. S. A. 74, 193-197). The enzyme has now been purified to near-homogeneity. Relatively large quant i ties were obtained f rom ColEl-plas...
متن کاملAggregation of an anionic azo dye with conventional cationic surfactants in premicellar region: A conductometric study
The interaction of Congo Red CR with a series of Alkyltrimethylamoniumbromide CnTAB, N-hexadecylpyridinium bromide CPB and N-hexadecylpyridinium CPC were investigated using conductometry technique. It was observed that the formation of dye-surfactant ion pairs takes place at surfactant concentration far below the critical micelle concentration of the individual surfactants. Aggregation was refl...
متن کاملConditions for quantitative evaluation of injured spinal cord by in vivo diffusion tensor imaging and tractography: Preclinical longitudinal study in common marmosets
Convent ional magnet ic resonance imaging (MRI) can detect hemorrhage, edema, syrinx, and spinal cord atrophy, but not axonal disrupt ion after spinal cord injury (SCI). We previously demonstrated that diffusion tensor t ractography (DTT) could depict axonal disrupt ion after hemisect ion SCI in common marmosets. In the present study, to determine the relat ionship between DTT results and funct...
متن کامل