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    FOG COMPUTING SYSTEMS AND METHODS
    1.
    发明申请
    FOG COMPUTING SYSTEMS AND METHODS 有权

    公开(公告)号：US20210117758A1

    公开(公告)日：2021-04-22

    申请号：US17050368

    申请日：2018-07-06

    申请人： BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACIÓN ,  UNIVERSITAT POLITÈCNICA DE CATALUNYA

    发明人： Juan Luís PÉREZ RICO ,  Alberto GUTIÉRREZ TORRE ,  Josep Lluís BERRAL GARCÍA ,  David CARRERA PEREZ

    IPC分类号： G06N3/04 ,  G06N3/063 ,  G06N3/08 ,  G06K9/62 ,  H04L29/08

    摘要： Fog computing systems are provided comprising edge-nodes and middle-nodes between edge-nodes and cloud-node. These nodes form a hierarchical structure with each cloud, middle node having children nodes, and each middle, edge node having a parent-node. Each edge-node receives data from sensors, assigns reception-timestamp to each data indicating when data has been received to produce series of timestamp-ordered data, trains local model through machine-learning based on said series of timestamp-ordered data, and sends said series to parent-node of the edge-node. Each middle-node collects series of timestamp-ordered data from children nodes of the middle-node, trains supra-local model through machine-learning based on said collected series of timestamp-ordered data, and sends said collected series to parent-node of the middle-node. Parent-children structures, edge-nodes and middle-nodes for such fog computing systems are also provided. Methods and computer programs of operation of an edge-node, and methods and computer programs of operation of a middle-node are also provided.

    METHOD OF EXPLORING THE FLEXIBILITY OF MACROMOLECULAR TARGETS AND ITS USE IN RATIONAL DRUG DESIGN
    4.
    发明申请
    METHOD OF EXPLORING THE FLEXIBILITY OF MACROMOLECULAR TARGETS AND ITS USE IN RATIONAL DRUG DESIGN 审中-公开
    探索大分子靶标灵活性及其在合理药物设计中的应用

    公开(公告)号：US20140249787A1

    公开(公告)日：2014-09-04

    申请号：US14349068

    申请日：2012-10-04

    申请人： UNIVERSITAT DE BARCELONA ,  THE UNIVERSITY OF NOTTINGHAM ,  FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) ,  BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACIÓN

    发明人： Modesto Orozco López ,  Charles Anthony Laughton ,  Oliver Carrillo Parramón ,  Rima Chaudhuri

    IPC分类号： G06F19/12

    CPC分类号： G16B5/00 ,  G16B15/00

    摘要： It comprises a method of exploring the flexibility of macromolecules, where an available ensemble of structures of a receptor, such as one coming from a molecular dynamics trajectory or a set of experimentally derived structures, is used to generate an ensemble of structures for a closely related receptor, such as a receptor mutant, a receptor with a series of post-translational modifications, or one that is non-covalently bound to a second molecule. In this way, new ensembles of the pertubed receptor can be accessed without the need to explicitely simulate the new system. The method allows the study of structure and flexibility of derivatives and relatives of a receptor in a computer efficient manner, and therefore has applications in the rational-drug design field, especially in virtual screening. It also comprises a computer program product for causing a computer to perform the method, as well as a system of molecular modeling comprising computer means for carrying out each of the steps of the method.

    摘要翻译： 它包括探索大分子的灵活性的方法，其中使用受体结构的可用整体，例如来自分子动力学轨迹的结构或一组实验衍生的结构，以产生用于密切相关的结构的整体 受体，例如受体突变体，具有一系列翻译后修饰的受体，或非共价结合于第二分子的受体。 以这种方式，可以访问新的组合的管状受体，而无需明确地模拟新系统。 该方法能够以计算机有效的方式研究受体的衍生物和亲属的结构和灵活性，因此在理性药物设计领域，特别是虚拟筛选中具有应用。 它还包括用于使计算机执行该方法的计算机程序产品，以及包括用于执行该方法的每个步骤的计算机装置的分子建模系统。

    Distributed indexes
    6.
    发明授权
    Distributed indexes 有权

    公开(公告)号：US11474988B2

    公开(公告)日：2022-10-18

    申请号：US17281901

    申请日：2018-11-15

    申请人： BARCELONA SUPERCOMPUTING CENTER—CENTRO NACIONAL DE SUPERCOMPUTACIÓN ,  UNIVERSITAT POLITÈCNICA DE CATALUNYA

    发明人： Cesare Cugnasco ,  Yolanda Becerra Fontal

    IPC分类号： G06F16/22 ,  G06F16/27

    摘要： Methods are provided of optimizing a tree-structured distributed-index with tree-nodes including data-elements and parent-child relations between tree-nodes. The distributed-index is stored in distributed system including computer-nodes each storing tree-nodes and a tree-map structurally describing the distributed-index. The methods include: inspecting the tree-map in first computer-node to determine whether the distributed-index is imbalanced due to a first tree-node in first computer-node and, in said case: notifying to other computer-nodes that first tree-node is replicable, to provoke that any request from other computer-nodes of inserting a data-element in first-tree-node includes inserting the data-element in corresponding child-node of first-tree-node; and verifying whether the other computer-nodes have been notified and, in said case, replicating data-elements stored in first tree-node into children-nodes thereof. Methods of inserting into and/or querying such distributed indexes or similar are also provided, along with computer programs and (computing) systems that are suitable for performing said optimizing, inserting and querying methods.

    DISTRIBUTED INDEXES
    10.
    发明申请
    DISTRIBUTED INDEXES 有权

    公开(公告)号：US20210397594A1

    公开(公告)日：2021-12-23

    申请号：US17281901

    申请日：2018-11-15

    申请人： BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACIÓN ,  UNIVERSITAT POLITÈCNICA DE CATALUNYA

    发明人： Cesare CUGNASCO ,  Yolanda BECERRA FONTAL

    IPC分类号： G06F16/22 ,  G06F16/27

    摘要： Methods are provided of optimizing a tree-structured distributed-index with tree-nodes including data-elements and parent-child relations between tree-nodes. The distributed-index is stored in distributed system including computer-nodes each storing tree-nodes and a tree-map structurally describing the distributed-index. The methods include: inspecting the tree-map in first computer-node to determine whether the distributed-index is imbalanced due to a first tree-node in first computer-node and, in said case: notifying to other computer-nodes that first tree-node is replicable, to provoke that any request from other computer-nodes of inserting a data-element in first-tree-node includes inserting the data-element in corresponding child-node of first-tree-node; and verifying whether the other computer-nodes have been notified and, in said case, replicating data-elements stored in first tree-node into children-nodes thereof. Methods of inserting into and/or querying such distributed indexes or similar are also provided, along with computer programs and (computing) systems that are suitable for performing said optimizing, inserting and querying methods.