1,208 research outputs found

    Predicting protein stability and solubility changes upon mutations: data perspective

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    Understanding mutational effects on protein stability and solubility is of particular importance for creating industrially relevant biocatalysts, resolving mechanisms of many human diseases, and producing efficient biopharmaceuticals, to name a few. Forin silicopredictions, the complexity of the underlying processes and increasing computational capabilities favor the use of machine learning. However, this approach requires sufficient training data of reasonable quality for making precise predictions. This minireview aims to summarize and scrutinize available mutational datasets commonly used for training predictors. We analyze their structure and discuss the possible directions of improvement in terms of data size, quality, and availability. We also present perspectives on the development of mutational data for accelerating the design of efficient predictors, introducing two new manually curated databases FireProt(DB)and SoluProtMut(DB)for protein stability and solubility, respectively

    Geographies of the COVID-19 pandemic

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    The spread of the novel coronavirus (SARS-CoV-2) has resulted in the most devastating global public health crisis in over a century. At present, over 10 million people from around the world have contracted the Coronavirus Disease 2019 (COVID-19), leading to more than 500,000 deaths globally. The global health crisis unleashed by the COVID-19 pandemic has been compounded by political, economic, and social crises that have exacerbated existing inequalities and disproportionately affected the most vulnerable segments of society. The global pandemic has had profoundly geographical consequences, and as the current crisis continues to unfold, there is a pressing need for geographers and other scholars to critically examine its fallout. This introductory article provides an overview of the current special issue on the geographies of the COVID-19 pandemic, which includes 42 commentaries written by contributors from across the globe. Collectively, the contributions in this special issue highlight the diverse theoretical perspectives, methodological approaches, and thematic foci that geographical scholarship can offer to better understand the uneven geographies of the Coronavirus/COVID-19. </jats:p

    The discomforting rise of ' public geographies': a 'public' conversation.

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    In this innovative and provocative intervention, the authors explore the burgeoning ‘public turn’ visible across the social sciences to espouse the need to radically challenge and reshape dominant and orthodox visions of ‘the academy’, academic life, and the role and purpose of the academic

    Forecasting in the light of Big Data

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    Predicting the future state of a system has always been a natural motivation for science and practical applications. Such a topic, beyond its obvious technical and societal relevance, is also interesting from a conceptual point of view. This owes to the fact that forecasting lends itself to two equally radical, yet opposite methodologies. A reductionist one, based on the first principles, and the naive inductivist one, based only on data. This latter view has recently gained some attention in response to the availability of unprecedented amounts of data and increasingly sophisticated algorithmic analytic techniques. The purpose of this note is to assess critically the role of big data in reshaping the key aspects of forecasting and in particular the claim that bigger data leads to better predictions. Drawing on the representative example of weather forecasts we argue that this is not generally the case. We conclude by suggesting that a clever and context-dependent compromise between modelling and quantitative analysis stands out as the best forecasting strategy, as anticipated nearly a century ago by Richardson and von Neumann

    Orchestrating Tuple-based Languages

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    The World Wide Web can be thought of as a global computing architecture supporting the deployment of distributed networked applications. Currently, such applications can be programmed by resorting mainly to two distinct paradigms: one devised for orchestrating distributed services, and the other designed for coordinating distributed (possibly mobile) agents. In this paper, the issue of designing a pro- gramming language aiming at reconciling orchestration and coordination is investigated. Taking as starting point the orchestration calculus Orc and the tuple-based coordination language Klaim, a new formalism is introduced combining concepts and primitives of the original calculi. To demonstrate feasibility and effectiveness of the proposed approach, a prototype implementation of the new formalism is described and it is then used to tackle a case study dealing with a simplified but realistic electronic marketplace, where a number of on-line stores allow client applications to access information about their goods and to place orders
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