LIVIVO - Das Suchportal für Lebenswissenschaften

switch to English language
Erweiterte Suche

Ihre letzten Suchen

  1. AU="Xavier, Joicymara S."
  2. AU="Heidenreich, Sebastian"
  3. AU="Clifford, Muireann"
  4. AU="Armendariz, R."
  5. AU="Cho, Yoon-Kyoung"
  6. AU="Payne, Emily"
  7. AU="Desseauve, David"
  8. AU="Elrod, Virginia A"
  9. AU=Alpaydin Aylin O AU=Alpaydin Aylin O
  10. AU=Amin Kritika Premnath
  11. AU="Subramanian, Prem S"
  12. AU="S.Wang, "
  13. AU="Kotrotsiou, Evagelia"
  14. AU="Belnap, Ethan"
  15. AU="Luo, Jianming"
  16. AU=Hsu Pin-Jui
  17. AU=Debaud Charlotte
  18. AU="García-Rubia, Alfonso"
  19. AU=Belot Alexandre
  20. AU="Jorge Ospina Duque"
  21. AU="Chalot, Michel"
  22. AU="Gunsolley, J N"
  23. AU="Tuè, Giovanni"
  24. AU="de Laat, Bart"
  25. AU=Drory Omri
  26. AU="Pothlichet, Julien"
  27. AU="Douwes, Rianne M"
  28. AU="Jarzebowski, Mary"
  29. AU="Shetty, Sunil"
  30. AU="Ricardo Ryoshim Kunyioshi"
  31. AU=Santos Maria Cristina Leme Godoy Dos AU=Santos Maria Cristina Leme Godoy Dos

Suchergebnis

Treffer 1 - 10 von insgesamt 12

Suchoptionen

  1. Artikel ; Online: Evaluating hierarchical machine learning approaches to classify biological databases.

    Rezende, Pâmela M / Xavier, Joicymara S / Ascher, David B / Fernandes, Gabriel R / Pires, Douglas E V

    Briefings in bioinformatics

    2022  Band 23, Heft 4

    Abstract: The rate of biological data generation has increased dramatically in recent years, which has driven the importance of databases as a resource to guide innovation and the generation of biological insights. Given the complexity and scale of these databases, ...

    Abstract The rate of biological data generation has increased dramatically in recent years, which has driven the importance of databases as a resource to guide innovation and the generation of biological insights. Given the complexity and scale of these databases, automatic data classification is often required. Biological data sets are often hierarchical in nature, with varying degrees of complexity, imposing different challenges to train, test and validate accurate and generalizable classification models. While some approaches to classify hierarchical data have been proposed, no guidelines regarding their utility, applicability and limitations have been explored or implemented. These include 'Local' approaches considering the hierarchy, building models per level or node, and 'Global' hierarchical classification, using a flat classification approach. To fill this gap, here we have systematically contrasted the performance of 'Local per Level' and 'Local per Node' approaches with a 'Global' approach applied to two different hierarchical datasets: BioLip and CATH. The results show how different components of hierarchical data sets, such as variation coefficient and prediction by depth, can guide the choice of appropriate classification schemes. Finally, we provide guidelines to support this process when embarking on a hierarchical classification task, which will help optimize computational resources and predictive performance.
    Mesh-Begriff(e) Algorithms ; Databases, Factual ; Deep Learning
    Sprache Englisch
    Erscheinungsdatum 2022-05-11
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2068142-2
    ISSN 1477-4054 ; 1467-5463
    ISSN (online) 1477-4054
    ISSN 1467-5463
    DOI 10.1093/bib/bbac216
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  2. Artikel ; Online: SARS-CoV-2 Africa dashboard for real-time COVID-19 information.

    Xavier, Joicymara S / Moir, Monika / Tegally, Houriiyah / Sitharam, Nikita / Abdool Karim, Wasim / San, James E / Linhares, Joana / Wilkinson, Eduan / Ascher, David B / Baxter, Cheryl / Pires, Douglas E V / de Oliveira, Tulio

    Nature microbiology

    2022  Band 8, Heft 1, Seite(n) 1–4

    Mesh-Begriff(e) Humans ; COVID-19 ; SARS-CoV-2 ; Africa/epidemiology
    Sprache Englisch
    Erscheinungsdatum 2022-12-22
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ISSN 2058-5276
    ISSN (online) 2058-5276
    DOI 10.1038/s41564-022-01276-9
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  3. Artikel ; Online: ThermoMutDB: a thermodynamic database for missense mutations.

    Xavier, Joicymara S / Nguyen, Thanh-Binh / Karmarkar, Malancha / Portelli, Stephanie / Rezende, Pâmela M / Velloso, João P L / Ascher, David B / Pires, Douglas E V

    Nucleic acids research

    2020  Band 49, Heft D1, Seite(n) D475–D479

    Abstract: Proteins are intricate, dynamic structures, and small changes in their amino acid sequences can lead to large effects on their folding, stability and dynamics. To facilitate the further development and evaluation of methods to predict these changes, we ... ...

    Abstract Proteins are intricate, dynamic structures, and small changes in their amino acid sequences can lead to large effects on their folding, stability and dynamics. To facilitate the further development and evaluation of methods to predict these changes, we have developed ThermoMutDB, a manually curated database containing >14,669 experimental data of thermodynamic parameters for wild type and mutant proteins. This represents an increase of 83% in unique mutations over previous databases and includes thermodynamic information on 204 new proteins. During manual curation we have also corrected annotation errors in previously curated entries. Associated with each entry, we have included information on the unfolding Gibbs free energy and melting temperature change, and have associated entries with available experimental structural information. ThermoMutDB supports users to contribute to new data points and programmatic access to the database via a RESTful API. ThermoMutDB is freely available at: http://biosig.unimelb.edu.au/thermomutdb.
    Mesh-Begriff(e) Databases, Protein ; Mutation, Missense/genetics ; Proteins/genetics ; Thermodynamics ; User-Computer Interface
    Chemische Substanzen Proteins
    Sprache Englisch
    Erscheinungsdatum 2020-11-15
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 186809-3
    ISSN 1362-4962 ; 1362-4954 ; 0301-5610 ; 0305-1048
    ISSN (online) 1362-4962 ; 1362-4954
    ISSN 0301-5610 ; 0305-1048
    DOI 10.1093/nar/gkaa925
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  4. Artikel ; Online: Dispersal patterns and influence of air travel during the global expansion of SARS-CoV-2 variants of concern

    Tegally, Houriiyah / Wilkinson, Eduan / Tsui, Joseph L.- H. / Moir, Monika / Martin, Darren / Brito, Anderson Fernandes / Giovanetti, Marta / Khan, Kamran / Huber, Carmen / Bogoch, Isaac I. / San, James Emmanuel / Poongavanan, Jenicca / Xavier, Joicymara S. / Candido, Darlan da S. / Romero, Filipe / Baxter, Cheryl / Pybus, Oliver G. / Lessells, Richard J. / Faria, Nuno R. /
    Kraemer, Moritz U.G. / De Oliveira, Tulio

    Cell. 20232023 July 07, June 07, v. 186, no. 15 p.3277-3290.e16

    2023  

    Abstract: The Alpha, Beta, and Gamma SARS-CoV-2 variants of concern (VOCs) co-circulated globally during 2020 and 2021, fueling waves of infections. They were displaced by Delta during a third wave worldwide in 2021, which, in turn, was displaced by Omicron in ... ...

    Abstract The Alpha, Beta, and Gamma SARS-CoV-2 variants of concern (VOCs) co-circulated globally during 2020 and 2021, fueling waves of infections. They were displaced by Delta during a third wave worldwide in 2021, which, in turn, was displaced by Omicron in late 2021. In this study, we use phylogenetic and phylogeographic methods to reconstruct the dispersal patterns of VOCs worldwide. We find that source-sink dynamics varied substantially by VOC and identify countries that acted as global and regional hubs of dissemination. We demonstrate the declining role of presumed origin countries of VOCs in their global dispersal, estimating that India contributed <15% of Delta exports and South Africa <1%–2% of Omicron dispersal. We estimate that >80 countries had received introductions of Omicron within 100 days of its emergence, associated with accelerated passenger air travel and higher transmissibility. Our study highlights the rapid dispersal of highly transmissible variants, with implications for genomic surveillance along the hierarchical airline network.
    Schlagwörter Severe acute respiratory syndrome coronavirus 2 ; air transportation ; genomics ; monitoring ; phylogeny ; phylogeography ; India ; South Africa ; mobility ; travel ; SARS-CoV-2 ; global dispersal ; phylogenetics ; variants
    Sprache Englisch
    Erscheinungsverlauf 2023-0607
    Umfang p. 3277-3290.e16.
    Erscheinungsort Elsevier Inc.
    Dokumenttyp Artikel ; Online
    ZDB-ID 187009-9
    ISSN 1097-4172 ; 0092-8674
    ISSN (online) 1097-4172
    ISSN 0092-8674
    DOI 10.1016/j.cell.2023.06.001
    Datenquelle NAL Katalog (AGRICOLA)

    Zusatzmaterialien

    Kategorien

  5. Artikel ; Online: Dispersal patterns and influence of air travel during the global expansion of SARS-CoV-2 variants of concern.

    Tegally, Houriiyah / Wilkinson, Eduan / Tsui, Joseph L-H / Moir, Monika / Martin, Darren / Brito, Anderson Fernandes / Giovanetti, Marta / Khan, Kamran / Huber, Carmen / Bogoch, Isaac I / San, James Emmanuel / Poongavanan, Jenicca / Xavier, Joicymara S / Candido, Darlan da S / Romero, Filipe / Baxter, Cheryl / Pybus, Oliver G / Lessells, Richard J / Faria, Nuno R /
    Kraemer, Moritz U G / de Oliveira, Tulio

    Cell

    2023  Band 186, Heft 15, Seite(n) 3277–3290.e16

    Abstract: The Alpha, Beta, and Gamma SARS-CoV-2 variants of concern (VOCs) co-circulated globally during 2020 and 2021, fueling waves of infections. They were displaced by Delta during a third wave worldwide in 2021, which, in turn, was displaced by Omicron in ... ...

    Abstract The Alpha, Beta, and Gamma SARS-CoV-2 variants of concern (VOCs) co-circulated globally during 2020 and 2021, fueling waves of infections. They were displaced by Delta during a third wave worldwide in 2021, which, in turn, was displaced by Omicron in late 2021. In this study, we use phylogenetic and phylogeographic methods to reconstruct the dispersal patterns of VOCs worldwide. We find that source-sink dynamics varied substantially by VOC and identify countries that acted as global and regional hubs of dissemination. We demonstrate the declining role of presumed origin countries of VOCs in their global dispersal, estimating that India contributed <15% of Delta exports and South Africa <1%-2% of Omicron dispersal. We estimate that >80 countries had received introductions of Omicron within 100 days of its emergence, associated with accelerated passenger air travel and higher transmissibility. Our study highlights the rapid dispersal of highly transmissible variants, with implications for genomic surveillance along the hierarchical airline network.
    Mesh-Begriff(e) Humans ; Air Travel ; COVID-19 ; Phylogeny ; SARS-CoV-2
    Sprache Englisch
    Erscheinungsdatum 2023-06-07
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 187009-9
    ISSN 1097-4172 ; 0092-8674
    ISSN (online) 1097-4172
    ISSN 0092-8674
    DOI 10.1016/j.cell.2023.06.001
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  6. Artikel ; Online: EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening.

    Pires, Douglas E V / Veloso, Wandré N P / Myung, YooChan / Rodrigues, Carlos H M / Silk, Michael / Rezende, Pâmela M / Silva, Francislon / Xavier, Joicymara S / Velloso, João P L / da Silveira, Carlos H / Ascher, David B

    Bioinformatics (Oxford, England)

    2020  Band 36, Heft 14, Seite(n) 4200–4202

    Abstract: Summary: EasyVS is a web-based platform built to simplify molecule library selection and virtual screening. With an intuitive interface, the tool allows users to go from selecting a protein target with a known structure and tailoring a purchasable ... ...

    Abstract Summary: EasyVS is a web-based platform built to simplify molecule library selection and virtual screening. With an intuitive interface, the tool allows users to go from selecting a protein target with a known structure and tailoring a purchasable molecule library to performing and visualizing docking in a few clicks. Our system also allows users to filter screening libraries based on molecule properties, cluster molecules by similarity and personalize docking parameters.
    Availability and implementation: EasyVS is freely available as an easy-to-use web interface at http://biosig.unimelb.edu.au/easyvs.
    Contact: douglas.pires@unimelb.edu.au or david.ascher@unimelb.edu.au.
    Supplementary information: Supplementary data are available at Bioinformatics online.
    Mesh-Begriff(e) Internet ; Software
    Sprache Englisch
    Erscheinungsdatum 2020-03-30
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1422668-6
    ISSN 1367-4811 ; 1367-4803
    ISSN (online) 1367-4811
    ISSN 1367-4803
    DOI 10.1093/bioinformatics/btaa480
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  7. Artikel ; Online: A Comprehensive Computational Platform to Guide Drug Development Using Graph-Based Signature Methods.

    Pires, Douglas E V / Portelli, Stephanie / Rezende, Pâmela M / Veloso, Wandré N P / Xavier, Joicymara S / Karmakar, Malancha / Myung, Yoochan / Linhares, João P V / Rodrigues, Carlos H M / Silk, Michael / Ascher, David B

    Methods in molecular biology (Clifton, N.J.)

    2020  Band 2112, Seite(n) 91–106

    Abstract: High-throughput computational techniques have become invaluable tools to help increase the overall success, process efficiency, and associated costs of drug development. By designing ligands tailored to specific protein structures in a disease of ... ...

    Abstract High-throughput computational techniques have become invaluable tools to help increase the overall success, process efficiency, and associated costs of drug development. By designing ligands tailored to specific protein structures in a disease of interest, an understanding of molecular interactions and ways to optimize them can be achieved prior to chemical synthesis. This understanding can help direct crucial chemical and biological experiments by maximizing available resources on higher quality leads. Moreover, predicting molecular binding affinity within specific biological contexts, as well as ligand pharmacokinetics and toxicities, can aid in filtering out redundant leads early on within the process. We describe a set of computational tools which can aid in drug discovery at different stages, from hit identification (EasyVS) to lead optimization and candidate selection (CSM-lig, mCSM-lig, Arpeggio, pkCSM). Incorporating these tools along the drug development process can help ensure that candidate leads are chemically and biologically feasible to become successful and tractable drugs.
    Mesh-Begriff(e) Computational Biology/methods ; Drug Development/methods ; Drug Discovery/methods ; Ligands ; Pharmaceutical Preparations/chemistry ; Proteins/chemistry ; Software
    Chemische Substanzen Ligands ; Pharmaceutical Preparations ; Proteins
    Sprache Englisch
    Erscheinungsdatum 2020-01-10
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1940-6029
    ISSN (online) 1940-6029
    DOI 10.1007/978-1-0716-0270-6_7
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  8. Artikel: Global Expansion of SARS-CoV-2 Variants of Concern: Dispersal Patterns and Influence of Air Travel.

    Tegally, Houriiyah / Wilkinson, Eduan / Martin, Darren / Moir, Monika / Brito, Anderson / Giovanetti, Marta / Khan, Kamran / Huber, Carmen / Bogoch, Isaac I / San, James Emmanuel / Tsui, Joseph L-H / Poongavanan, Jenicca / Xavier, Joicymara S / Candido, Darlan da S / Romero, Filipe / Baxter, Cheryl / Pybus, Oliver G / Lessells, Richard / Faria, Nuno R /
    Kraemer, Moritz U G / de Oliveira, Tulio

    medRxiv : the preprint server for health sciences

    2022  

    Abstract: In many regions of the world, the Alpha, Beta and Gamma SARS-CoV-2 Variants of Concern (VOCs) co-circulated during 2020-21 and fueled waves of infections. During 2021, these variants were almost completely displaced by the Delta variant, causing a third ... ...

    Abstract In many regions of the world, the Alpha, Beta and Gamma SARS-CoV-2 Variants of Concern (VOCs) co-circulated during 2020-21 and fueled waves of infections. During 2021, these variants were almost completely displaced by the Delta variant, causing a third wave of infections worldwide. This phenomenon of global viral lineage displacement was observed again in late 2021, when the Omicron variant disseminated globally. In this study, we use phylogenetic and phylogeographic methods to reconstruct the dispersal patterns of SARS-CoV-2 VOCs worldwide. We find that the source-sink dynamics of SARS-CoV-2 varied substantially by VOC, and identify countries that acted as global hubs of variant dissemination, while other countries became regional contributors to the export of specific variants. We demonstrate a declining role of presumed origin countries of VOCs to their global dispersal: we estimate that India contributed <15% of all global exports of Delta to other countries and South Africa <1-2% of all global Omicron exports globally. We further estimate that >80 countries had received introductions of Omicron BA.1 100 days after its inferred date of emergence, compared to just over 25 countries for the Alpha variant. This increased speed of global dissemination was associated with a rebound in air travel volume prior to Omicron emergence in addition to the higher transmissibility of Omicron relative to Alpha. Our study highlights the importance of global and regional hubs in VOC dispersal, and the speed at which highly transmissible variants disseminate through these hubs, even before their detection and characterization through genomic surveillance.
    Highlights: Global phylogenetic analysis reveals relationship between air travel and speed of dispersal of SARS-CoV-2 variants of concern (VOCs)Omicron VOC spread to 5x more countries within 100 days of its emergence compared to all other VOCsOnward transmission and dissemination of VOCs Delta and Omicron was primarily from secondary hubs rather than initial country of detection during a time of increased global air travelAnalysis highlights highly connected countries identified as major global and regional exporters of VOCs.
    Sprache Englisch
    Erscheinungsdatum 2022-11-27
    Erscheinungsland United States
    Dokumenttyp Preprint
    DOI 10.1101/2022.11.22.22282629
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  9. Artikel ; Online: Identifying Genotype-Phenotype Correlations via Integrative Mutation Analysis.

    Airey, Edward / Portelli, Stephanie / Xavier, Joicymara S / Myung, Yoo Chan / Silk, Michael / Karmakar, Malancha / Velloso, João P L / Rodrigues, Carlos H M / Parate, Hardik H / Garg, Anjali / Al-Jarf, Raghad / Barr, Lucy / Geraldo, Juliana A / Rezende, Pâmela M / Pires, Douglas E V / Ascher, David B

    Methods in molecular biology (Clifton, N.J.)

    2020  Band 2190, Seite(n) 1–32

    Abstract: Mutations in protein-coding regions can lead to large biological changes and are associated with genetic conditions, including cancers and Mendelian diseases, as well as drug resistance. Although whole genome and exome sequencing help to elucidate ... ...

    Abstract Mutations in protein-coding regions can lead to large biological changes and are associated with genetic conditions, including cancers and Mendelian diseases, as well as drug resistance. Although whole genome and exome sequencing help to elucidate potential genotype-phenotype correlations, there is a large gap between the identification of new variants and deciphering their molecular consequences. A comprehensive understanding of these mechanistic consequences is crucial to better understand and treat diseases in a more personalized and effective way. This is particularly relevant considering estimates that over 80% of mutations associated with a disease are incorrectly assumed to be causative. A thorough analysis of potential effects of mutations is required to correctly identify the molecular mechanisms of disease and enable the distinction between disease-causing and non-disease-causing variation within a gene. Here we present an overview of our integrative mutation analysis platform, which focuses on refining the current genotype-phenotype correlation methods by using the wealth of protein structural information.
    Mesh-Begriff(e) DNA Mutational Analysis/methods ; Exome/genetics ; Genetic Association Studies/methods ; Genotype ; Humans ; Mutation/genetics ; Phenotype ; Whole Exome Sequencing/methods
    Sprache Englisch
    Erscheinungsdatum 2020-08-17
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1940-6029
    ISSN (online) 1940-6029
    DOI 10.1007/978-1-0716-0826-5_1
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

  10. Artikel ; Online: Global Expansion of SARS-CoV-2 Variants of Concern: Dispersal Patterns and Influence of Air Travel

    Tegally, Houriiyah / Wilkinson, Eduan / Martin, Darren / Moir, Monika / Brito, Anderson / Giovanetti, Marta / Khan, Kamran / Huber, Carmen / Bogoch, Isaac I. / San, James Emmanuel / Tsui, Joseph L.-H. / Poongavanan, Jenicca / Xavier, Joicymara S. / Candido, Darlan da S. / Romero, Filipe / Baxter, Cheryl / Pybus, Oliver G. / Lessells, Richard / Faria, Nuno R. /
    Kraemer, Moritz U.G. / de Oliveira, Tulio

    medRxiv

    Abstract: In many regions of the world, the Alpha, Beta and Gamma SARS-CoV-2 Variants of Concern (VOCs) co-circulated during 2020-21 and fueled waves of infections. During 2021, these variants were almost completely displaced by the Delta variant, causing a third ... ...

    Abstract In many regions of the world, the Alpha, Beta and Gamma SARS-CoV-2 Variants of Concern (VOCs) co-circulated during 2020-21 and fueled waves of infections. During 2021, these variants were almost completely displaced by the Delta variant, causing a third wave of infections worldwide. This phenomenon of global viral lineage displacement was observed again in late 2021, when the Omicron variant disseminated globally. In this study, we use phylogenetic and phylogeographic methods to reconstruct the dispersal patterns of SARS-CoV-2 VOCs worldwide. We find that the source-sink dynamics of SARS-CoV-2 varied substantially by VOC, and identify countries that acted as global hubs of variant dissemination, while other countries became regional contributors to the export of specific variants. We demonstrate a declining role of presumed origin countries of VOCs to their global dispersal: we estimate that India contributed <15% of all global exports of Delta to other countries and South Africa <1-2% of all global Omicron exports globally. We further estimate that >80 countries had received introductions of Omicron BA.1 100 days after its inferred date of emergence, compared to just over 25 countries for the Alpha variant. This increased speed of global dissemination was associated with a rebound in air travel volume prior to Omicron emergence in addition to the higher transmissibility of Omicron relative to Alpha. Our study highlights the importance of global and regional hubs in VOC dispersal, and the speed at which highly transmissible variants disseminate through these hubs, even before their detection and characterization through genomic surveillance.
    Schlagwörter covid19
    Sprache Englisch
    Erscheinungsdatum 2022-11-27
    Verlag Cold Spring Harbor Laboratory Press
    Dokumenttyp Artikel ; Online
    DOI 10.1101/2022.11.22.22282629
    Datenquelle COVID19

    Kategorien

Zum Seitenanfang