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91.
92.
Stanislav Naryzhny Nikolay Klopov Natalia Ronzhina Elena Zorina Victor Zgoda Olga Kleyst Natalia Belyakova Olga Legina 《Electrophoresis》2020,41(12):1118-1124
The human proteome is composed of a diverse and heterogeneous range of gene products/proteoforms/protein species. Because of the growing amount of information about proteoforms generated by different methods, we need a convenient approach to make an inventory of the data. Here, we present a database of proteoforms that is based on information obtained by separation of proteoforms using 2DE followed by shotgun ESI–LC–MS/MS. The database's principles and structure are described. The database is called “2DE-pattern” as it contains multiple isoform-centric patterns of proteoforms separated according to 2DE principles. The database can be freely used at http://2de-pattern.pnpi.nrcki.ru . 相似文献
93.
Kunihiko Sadakane 《Journal of Algorithms in Cognition, Informatics and Logic》2003,48(2):294-313
New text indexing functionalities of the compressed suffix arrays are proposed. The compressed suffix array proposed by Grossi and Vitter is a space-efficient data structure for text indexing. It occupies only O(n) bits for a text of length n; however it also uses the text itself that occupies
bits for the alphabet
. In this paper we modify the data structure so that pattern matching can be done without any access to the text. In addition to the original functions of the compressed suffix array, we add new operations search, decompress and inverse to the compressed suffix arrays. We show that the new index can find occ occurrences of any substring P of the text in O(|P|logn+occlogεn) time for any fixed 1ε>0 without access to the text. The index also can decompress a part of the text of length m in O(m+logεn) time. For a text of length n on an alphabet
such that
, our new index occupies only
bits where
is the order-0 entropy of the text. Especially for ε=1 the size is
bits. Therefore the index will be smaller than the text, which means we can perform fast queries from compressed texts. 相似文献
94.
Oleg Seleznjev Bernhard Thalheim 《Methodology and Computing in Applied Probability》2003,5(4):395-418
In a variety of applications ranging from environmental and health sciences to bioinformatics, it is essential that data collected in large databases are generated stochastically. This states qualitatively new problems both for statistics and for computer science. Namely, instead of deterministic (usually worst case) analysis, the average case analysis is needed for many standard database problems. Since both stochastic and deterministic methods and notation are used it causes additional difficulties for an investigation of such problems and for an exposition of results. We consider a general class of probabilistic models for databases and study a few problems in a probabilistic framework. In order to demonstrate the general approach, the problems for systems of database constraints (keys, functional dependencies and related) are investigated in more detail. Our approach is based on consequent using Rényi entropy as a main characteristic of uncertainty of distribution and Poisson approximation (Stein–Chen technique) of the corresponding probabilities. 相似文献
95.
一种基于HTTP的Internet文件存储系统的设计和实现 总被引:1,自引:0,他引:1
利用网络进行文件管理,尤其是利用范围最广的Internet网络进行存储管理,能极大地方便和满足用户文件存储管理的需要.论述了一种基于HTTP的Internet文件存储系统的设计和实现. 相似文献
96.
《Magnetic resonance in chemistry : MRC》2018,56(8):703-715
Even though NMR has found countless applications in the field of small molecule characterization, there is no standard file format available for the NMR data relevant to structure characterization of small molecules. A new format is therefore introduced to associate the NMR parameters extracted from 1D and 2D spectra of organic compounds to the proposed chemical structure. These NMR parameters, which we shall call NMReDATA (for nuclear magnetic resonance extracted data), include chemical shift values, signal integrals, intensities, multiplicities, scalar coupling constants, lists of 2D correlations, relaxation times, and diffusion rates. The file format is an extension of the existing Structure Data Format, which is compatible with the commonly used MOL format. The association of an NMReDATA file with the raw and spectral data from which it originates constitutes an NMR record. This format is easily readable by humans and computers and provides a simple and efficient way for disseminating results of structural chemistry investigations, allowing automatic verification of published results, and for assisting the constitution of highly needed open‐source structural databases. 相似文献
97.
Mark G. Bures Candace Black-Schaefer Gary Gardner 《Journal of computer-aided molecular design》1991,5(4):323-334
Summary Molecular modeling techniques and three-dimensional (3D) pattern analysis have been used to investigate the chemical and steric properties of compounds that inhibit transport of the plant hormone auxin. These compounds bind to a specific site on the plant plasma membrane characterized by its affinity for the herbicide N-1-naphthylphthalamic acid (NPA). A 3D model was derived from critical features of a set of ligands for the NPA receptor, a suggested binding conformation is proposed, and implications for the topographical features of the NPA receptor are discussed. This model, along with 3D structural analysis techniques, was then used to search the Abbott corporate database of chemical structures. Of the 467 compounds that satisfied the criteria of the model, 77 representative molecules were evaluated for their ability to compete for the binding of [3H]NPA to corn microsomal membranes. Nineteen showed activity that ranged from 16 to 85% of the maximum NPA binding. Four of the most active of these, representing chemical classes not included in the original compound set, were also found to inhibit polar auxin transport through corn coleoptile sections. Thus, this study demonstrates that 3D analysis techniques can identify active, novel ligands for biochemical target sites with concomitant physiological activity. 相似文献
98.
细胞信号传导是近年来生命科学研究的热点之一。有关蛋白转录后修饰 (如蛋白质磷酸化、乙酰化、糖基化等 ) ,信号肽序列测定 ,信号传导途径和多通道调节方式 ,蛋白自折叠及构象变化 ,小分子脂类信号分子等研究由于质谱技术的快速发展而取得了突破性的进展 相似文献
99.
Musumarra G Condorelli DF Costa AS Fichera M 《Journal of computer-aided molecular design》2001,15(3):219-234
A multivariate insight into the in vitro antitumour screen database of the NCI by means of the SIMCA package allows to propose hypotheses on the mechanism of action of novel anticancer compounds. As an example, the application of multivariate analysis to the NCI standard database provided clues to the classification of drugs whose mechanism is either unknown or controversial. Moreover, the influence of intrinsic biochemical cell line properties (molecular targets) on the sensitivity to drug treatment could be evaluated simultaneously for classes of compounds which act by the same mechanism. Interestingly, the present approach can also provide a correlation between the molecular targets and the therapeutical fingerprint of novel active compounds thus suggesting specific biochemical studies for the investigation of new mechanisms of drug action and resistance. The statistical approach reported here represents a valuable tool for handling theenormous data sets deriving from recent genome-wide investigations of gene expression in the NCI cell lines. 相似文献
100.
Summary Applications of high-resolution gas chromatography and high-resolution mass spectrometry (GC-MS) for identification and quantitation
of trace amounts of pyrethroid metabolites in human urine samples are demonstrated. The method covers the pyrethroid metabolitescis- andtrans-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropane carboxylic acid (cis- andtrans-DCCA),cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylic acid (cis-DBCA), 4-fluoro-3-phenoxybenzoic acid (FPBA), and 3-phenoxybenzoic acid (3-PBA). After acid-induced hydrolysis of urine samples
and exhaustive solvent extraction, a carbodiimide-coupled esterification of the free carboxylic acids with hexafluoroisopropanol
(HFIP) is applied. Identification of the derivatives formed is achieved by low-resolution electron-impact mass spectrometry
(EIMS) using an ion-trap detector. Quantitation was by capillary gas chromatography—high-resolution mass spectrometry using
negative chemical ionization (GC-NCIMS). 2-Phenoxybenzoic acid (2-PBA) served as internal standard. The limits of detection
forcis- andtrans-DCCA,cis-DBCA, FPBA and 3-PBA were 0.03 μg L−1 or below. The applicability of the presented method was tested on urine samples of persons exposed to low levels of pyrethroids. 相似文献