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Search results for: CONFORMATIONAL SEARCH
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Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
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Approximate search strategies for weighted trees
PublicationW pracy podajemy 3-przybliżony algorytm dla problemu spójnego przeszukiwania drzew ważonych.
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Intelligent Resources Search in Virtual Libraries.
PublicationZostała zaprezentowana koncepcja bibliotek cyfrowych oraz temat wyszukiwania zasobów. W celu poprawy jakości procesu wyszukiwania, zostało zaproponowane użycie koncepcji sieci semantycznej zamiast klasycznego sposóbu opisu zasobów bibliograficznych. Została opisana prosta ontologia oparta o Dublin Core meta-data. Zostało przedyskutowane zastosowanie algorytmu przetważania połączeń semantycznych w celu szukania. Zastosowany w Wirtualnej...
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On-line Search in Two-Dimensional Environment
PublicationWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. As a way of modeling two-dimensional shapes, we restrict our attention to networks that are embedded into partial grids:...
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On-line Search in Two-Dimensional Environment
PublicationWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. We require that the strategy is connected and monotone, that is, at each point of the execution the part of the graph...
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Fast Approximate String Search for Wikification
PublicationThe paper presents a novel method for fast approximate string search based on neural distance metrics embeddings. Our research is focused primarily on applying the proposed method for entity retrieval in the Wikification process, which is similar to edit distance-based similarity search on the typical dictionary. The proposed method has been compared with symmetric delete spelling correction algorithm and proven to be more efficient...
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In search of a common ground for the space sciences
PublicationThe paper discusses the relations between various aspects of human activities performed in space, taking into consideration the past, present and future contexts. Interdisciplinarity and integrity of technological issues combined with legal and management issues were emphasized. Consequently, it was recognized that it is necessary to build a network of universities, research-and-development companies and engineering companies....
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Conformational studies of highly potent 1-aminocyclohexane-1-carboxylic acid substituted V2 vasopressin agonists
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublicationAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Cis/trans conformational equilibrium across the N-methylphenylalanine2- N-methylphenylalanine3 peptide bond of arginine vasopressin analogs
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Highly Potent Antidiuretic Antagonists: Conformational Studies of Vasopressin Analogues Modified with 1-Naphthylalanine Enantiomers at Position 2
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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Study of the Experimental and Simulated Vibrational Spectra Together with Conformational Analysis of Thioether Cyanobiphenyl-Based Liquid Crystal Dimers
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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Localization of key amino acid residues in the dominant conformational epitopes on thyroid peroxidase recognized by mouse monoclonal antibodies
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MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?
PublicationPraca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).
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Harmony Search for Data Mining with Big Data
PublicationIn this paper, some harmony search algorithms have been proposed for data mining with big data. Three areas of big data processing have been studied to apply new metaheuristics. The first problem is related to MapReduce architecture that can be supported by a team of harmony search agents in grid infrastructure. The second dilemma involves development of harmony search in preprocessing of data series before data mining. Moreover,...
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Features of a radial user interface to search engines
PublicationThe paper is concerned with a new type of user interface to search engines. Instead of presenting search results in a form of a ranked list, the results are presented in radial arrangement. In the center of the interface the most relevant web page is presented. Other web pages are located around the central one. The location of a web page depends on two factors: its relevance to the query and its content. The relevance has influence...
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Apparatus to search for optical flashes of extragalactic origin
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In search of a new relationship between nature and society
PublicationWe live in an era of breakthrough- not only in the literal sense of the word, but the breakthrough of the century or the millennium. New discoveries and the crisis present in the economy, society, religion and ecology forces a review of all universally accepted theories. Nature, ecology and environment are the key words used in every area of human activity. It has led to the development of a new scientific field- the philosophy...
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Interactive Information Search in Text Data Collections
PublicationThis article presents a new idea for retrieving in text repositories, as well as it describes general infrastructure of a system created to implement and test those ideas. The implemented system differs from today’s standard search engine by introducing process of interactive search with users and data clustering. We present the basic algorithms behind our system and measures we used for results evaluation. The achieved results...
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Context Search Algorithm for Lexical Knowledge Acquisition
PublicationA Context Search algorithm used for lexical knowledge acquisition is presented. Knowledge representation based on psycholinguistic theories of cognitive processes allows for implementation of a computational model of semantic memory in the form of semantic network. A knowledge acquisition using supervised dialog templates have been performed in a word game designed to guess the concept a human user is thinking about. The game,...
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Adaptive Algorithm for Interactive Question-based Search
PublicationPopular web search engines tend to improve the relevanceof their result pages, but the search is still keyword-oriented and far from "understanding" the queries' meaning. In the article we propose an interactive question-based search algorithm that might come up helpful for identifying users' intents. We describe the algorithm implemented in a form of a questions game. The stress is put mainly on the most critical aspect of this...
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Web search results clusterization with background knowledge
PublicationClusterization of web pages is an attractive wayfor presenting web resources. Arranging pages into groups ofsimilar topics simplifies and shorten the search process. Thispaper concerns the problem of clustering web pages and presentsour approach to this issue. Our solution is focused on findingsimilarities between documents delivered by different web searchengines. This process was accomplished by applying WordNetdictionary.
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Parallel tabu search for graph coloring problem
PublicationTabu search is a simple, yet powerful meta-heuristic based on local search that has been often used to solve combinatorial optimization problems like the graph coloring problem. This paper presents current taxonomy of patallel tabu search algorithms and compares three parallelization techniques applied to Tabucol, a sequential TS algorithm for graph coloring. The experimental results are based on graphs available from the DIMACS...
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Acoustic journal bearing - A search for adequate configuration
PublicationClassical non-contact bearings are already used in a number of specialist applications but there are somespecialist areas where they cannot be used for variety of reasons and acoustic sliding bearings could be an alternative. The paper presents the quest for a configuration of an acoustic journal bearing and shows that the overall shape of the bearing and its geometry are of a vital importance for the load capacity oft he bearing....
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Synchronous black hole search in directed graphs
PublicationThe paper considers a team of robots which has to explore a graph G, where some nodes can be harmful. Robots are initially located at the so-called home base node. The dangerous nodes are the so-called black hole nodes, and once a robot enters in one of them, it is destroyed. The goal is to find a strategy in order to explore G in such a way that minimum number of robots is wasted. The exploration ends if there is at least one...
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Focused crawler for trustworthy healthcare information search
PublicationArtykuł zawiera opis prac wykonanych w projekcie 6 Programu Ramowego Unii Europejskiej: Personalised Information Platform for life and health Services (PIPS). Głównym celem projektu jest zapewnienie obywatelowi Unii kompleksowego wspomagania w zakresie zagadnień ochrony zdrowia oraz odżywiania. Do realizacji tego celu konieczne jest pozyskanie i dostarczenie obywatelowi wiarygodnej, prawdziwej i aktualnej informacji z tych dziedzin....
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A Population-Based Method with Selection of a Search Operator
PublicationThis paper presents a method based on a population in which the parameters of individuals can be processed by operators from various population-based algorithms. The mechanism of selecting operators is based on the introduction of an additional binary parameters vector located in each individual, on the basis of which it is decided which operators are to be used to modify individuals’ parameters. Thus, in the proposed approach,...
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Neural Architecture Search for Skin Lesion Classification
PublicationDeep neural networks have achieved great success in many domains. However, successful deployment of such systems is determined by proper manual selection of the neural architecture. This is a tedious and time-consuming process that requires expert knowledge. Different tasks need very different architectures to obtain satisfactory results. The group of methods called the neural architecture search (NAS) helps to find effective architecture...
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Solution conformations of bradykinin antagonists modified with CαCα cyclized nonaromatic residues
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Molecular dynamics study of the influence of calcium ions on the conformation of gelsolin S2 domain
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Relationship between polymorphism in the CRH gene and the traits of body conformation of Salers cows
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Synthesis, activity on NK-3 tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
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Acetylated adipate of retrograded starch as RS 3/4 type resistant starch
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Physicochemical Properties and Digestion Resistance of Acetylated Starch Obtained from Annealed Starch
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Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein
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Pi of the sky: search for optical flashes of extragalactic origin
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Search for Ultimate Throughput in Ultra-Broadband Photonic Internet
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Search for the fundamental solution to the vector acoustic wave equations
PublicationCzasowo-przestrzenna funkcja Greena pola swobodnego jest dobrze znanym rozwiązaniem podsta-wowym skalarnego niejednorodnego równania falowego. Wyraża ona odpowiedź ośrodka płynnego na punktowe zaburzenie o symetrii sferycznej. Odpowiedź ośrodka na zaburzenie wektorowe nie jest tak oczywista. Artykuł przedstawia oryginalne podejście do problemu, polegające na systematycznej, szcze-gółowej weryfikacji hipotetycznych rozwiązań skalarnych...
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A Backtracking Search Algorithm for Distribution Network Reconfiguration Problem
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Spectral Clustering Wikipedia Keyword-Based search Results
PublicationThe paper summarizes our research in the area of unsupervised categorization of Wikipedia articles. As a practical result of our research, we present an application of spectral clustering algorithm used for grouping Wikipedia search results. The main contribution of the paper is a representation method for Wikipedia articles that has been based on combination of words and links and used for categoriation of search results in this...