1,720,961 research outputs found
Neural networks predict protein folding and structure: Artificial intelligence faces biomolecular complexity
No full textIn the genomic era DNA sequencing is increasing our knowledge of the molecular structure of genetic codes from bacteria to man at a hyperbolic rate. Billions of nucleotides and millions of aminoacids are already filling the electronic files of the data bases presently available, which contain a tremendous amount of information on the most biologically relevant macromolecules, such as DNA, RNA and proteins. The most urgent problem originates from the need to single out the relevant information amidst a wealth of general features. Intelligent tools are therefore needed to optimise the search. Data mining for sequence analysis in biotechnology has been substantially aided by the development of new powerful methods borrowed from the machine learning approach. In this paper we discuss the application of artificial feedforward neural networks to deal with some fundamental problems tied with the folding process and the structure-function relationship in proteins
Predictions of protein segments with the same aminoacid sequence and different secondary structure: A benchmark for predictive methods
No full textThe most stringent test for predictive methods of protein secondary structure is whether identical short sequences that are known to be present with different conformations in different proteins known at atomic resolution can be correctly discriminated. In this study, we show that the prediction efficiency of this type of segments in unrelated proteins reaches an average accuracy per residue ranging from about 72 to 75% (depending on the alignment method used to generate the input sequence profile) only when methods of the third generation are used. A comparison of different methods based on segment statistics (2nd generation methods) and/or including also evolutionary information (3rd generation methods) indicate that the discrimination of the different conformations of identical segments is dependent on the method used for the prediction. Accuracy is similar when methods similarly performing on the secondary structure prediction are tested. When evolutionary information is taken into account as compared to single sequence input, the number of correctly discriminated pairs is increased twofold. The results also highlight the predictive capability of neural networks for identical segments whose conformation differs in different proteins. (C) 2000 Wiley-Liss, Inc
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Predictions of protein segments with the same amino acid sequence and different secondary structure: a benchmark for predictive methods
No full textPrediction of the transmembrane regions of β-barrel membrane proteins with a neural network-based predictor
No full textA method based on neural networks is trained and tested on a nonredundant set of β-barrel membrane proteins known at atomic resolution with a jackknife procedure. The method predicts the topography of transmembrane β strands with residue accuracy as high as 78% when evolutionary information is used as input to the network. Of the transmembrane β-strands included in the training set, 93% are correctly assigned. The predictor includes an algorithm of model optimization, based on dynamic programming, that correctly models eight out of the 11 proteins present in the training/testing set. In addition, protein topology is assigned on the basis of the location of the longest loops in the models. We propose this as a general method to fill the gap of the prediction of β-barrel membrane proteins
Protein structure prediction and biomolecular recognition: from protein sequence to peptidomimetic design with the human beta3 integrin.
No full textComputational tools can bridge the gap between sequence and protein 3D structure based on the notion that information is to be retrieved from the databases and that knowledge-based methods can help in approaching a solution of the protein-folding problem. To this aim our group has implemented neural network-based predictors capable of performing with some success in different tasks, including predictions of the secondary structure of globular and membrane proteins, the topology of membrane proteins and porins and stable alpha-helical segments suited for protein design. Moreover we have developed methods for predicting contact maps in proteins and the probability of finding a cysteine in a disulfide bridge, tools which can contribute to the goal of predicting the 3D structure starting from the sequence (the so called ab initio prediction). All our predictors take advantage of evolution information derived from the structural alignments of homologous (evolutionary related) proteins and taken from the sequence and structure databases. When it is necessary to build models for proteins of unknown spatial structure, which have very little homology with other proteins of known structure, non-standard techniques need to be developed and the tools for protein structure predictions may help in protein modeling. The results of a recent simulation performed in our lab highlights the role of high performing computing technology and of tools of computational biology in protein modeling and peptidomimetic design
Prediction of the transmembrane regions of beta-barrel membrane proteins with a neural network based predictor
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