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Author Correction: Generation of accurate, expandable phylogenomic trees with uDance

Nature biotechnology 2024年第5期42卷 814页

作者： Metin Balaban Yueyu Jiang Qiyun Zhu Daniel McDonald Rob Knight Siavash Mirarab Bioinformatics and Systems Biology Graduate Program University of California San Diego La Jolla CA USA. Department of Electrical and Computer Engineering University of California San Diego La Jolla CA USA. Biodesign Center for Fundamental and Applied Microbiomics Arizona State University Tempe AZ USA. School of Life Sciences Arizona State University Tempe AZ USA. Department of Pediatrics University of California San Diego La Jolla CA USA. Department of Computer Science and Engineering Jacobs School of Engineering University of California San Diego La Jolla CA USA. Department of Bioengineering University of California San Diego La Jolla CA USA. Center for Microbiome Innovation Jacobs School of Engineering University of California San Diego La Jolla CA USA. Department of Electrical and Computer Engineering University of California San Diego La Jolla CA USA. smirarab@ucsd.edu. Department of Computer Science and Engineering Jacobs School of Engineering University of California San Diego La Jolla CA USA. smirarab@ucsd.edu. Center for Microbiome Innovation Jacobs School of Engineering University of California San Diego La Jolla CA USA. smirarab@ucsd.edu.

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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

arXiv

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arXiv 2023年

作者： Eastman, Peter Galvelis, Raimondas Peláez, Raúl P. Abreu, Charlles R.A. Farr, Stephen E. Gallicchio, Emilio Gorenko, Anton Henry, Michael M. Hu, Frank Huang, Jing Krämer, Andreas Michel, Julien Mitchell, Joshua A. Pande, Vijay S. Rodrigues, João P.G.L.M. Rodriguez-Guerra, Jaime Simmonett, Andrew C. Singh, Sukrit Swails, Jason Turner, Philip Wang, Yuanqing Zhang, Ivy Chodera, John D. De Fabritiis, Gianni Markland, Thomas E. Department of Chemistry Stanford University StanfordCA94305 United States Acellera Labs C Dr Trueta 183 Barcelona08005 Spain C Dr. Aiguader 88 Barcelona08003 Spain Chemical Engineering Department School of Chemistry Federal University of Rio de Janeiro Rio de Janeiro68542 Brazil Redesign Science Inc. 180 Varick St. New YorkNY10014 United States EaStCHEM School of Chemistry University of Edinburgh EH9 3FJ United Kingdom Department of Chemistry and Biochemistry Brooklyn College The City University of New York NY United States Ph.D. Program in Chemistry Ph.D. Program in Biochemistry The Graduate Center of the City University of New York New YorkNY United States Stream HPC Koningin Wilhelminaplein 1 - 40601 Amsterdam1062 HG Netherlands Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University 18 Shilongshan Road Zhejiang Hangzhou310024 China Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 12 Berlin14195 Germany The Open Force Field Initiative Open Molecular Software Foundation DavisCA95616 United States Andreessen Horowitz 2865 Sand Hill Rd Menlo ParkCA94025 United States Department of Structural Biology Stanford University StanfordCA94305 United States Charité Universitätsmedizin Berlin In silico Toxicology and Structural Bioinformatics Virchowweg 6 Berlin10117 Germany Laboratory of Computational Biology National Heart Lung and Blood Institute National Institutes of Health BethesdaMD20892 United States Entos Inc. 9310 Athena Circle La Jolla CA92037 United States College of Engineering Virginia Polytechnic Institute State University BlacksburgVA24061 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University 24 Waverly Place New YorkNY10004 United States T

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models can be added to a simulation and used to compute forces and energy. A higher-level interface allows users to easily model their molecules of interest with general purpose, pretrained potential functions. A collection of optimized CUDA kernels and custom PyTorch operations greatly improves the speed of simulations. We demonstrate these features on simulations of cyclin-dependent kinase 8 (CDK8) and the green fluorescent protein (GFP) chromophore in water. Taken together, these features make it practical to use machine learning to improve the accuracy of simulations at only a modest increase in cost. Copyright © 2023, The Authors. All rights reserved.

关键词： Machine learning

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The Biodiversity of Flora and Fauna in the Re-vegetation Area in The Post-Mining Area of Pongkor

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IOP Conference Series: Earth and Environmental science 2020年第1期501卷

作者： A Kusumoarto A Gunawan Machfud A Hikmat Doctoral Student Program Natural Resource and Environmental Management Science School of Post-Graduate IPB University Jl. Raya Pajajaran Bogor Indonesia 16143 Lecturer in Architecture Study Program Faculty of Technic and Computer Science Indraprasta PGRI University Jl. Raya Nangka No. 58C RT.5/RW.5 Tanjung Barat Kecamatan Jagakarsa Kota Jakarta Selatan Daerah Khusus Ibukota Jakarta 12530 Lecturer in Landscape Architecture Department IPB University Jl. Raya Darmaga Bogor Indonesia 16680 Lecturer in AgroIndustrial Technology Department IPB University Jl.Raya Darmaga Bogor Indonesia 16680 Lecturer in Conservation of Forest and Ecotourism Department IPB University Jl. Raya Darmaga Bogor Indonesia 16680

The Pongkor post-mining area is designated as one of the ecotourism areas in Bogor. This area has biodiversity of flora and fauna. This study aims to: (1) analysis the importance value index (IVI) of flora types; (2) analysis species richness index, species diversity index, and relative species abundance index; (3) analysis the beauty, the uniqueness and the rarity of the flora and fauna types. The method used in this research is quantitative descriptive. Based on the identification results, 185 species of flora are distributed in this region. During the rainy season, 15 species of herpetofauna were identified, 32 types of aves, and 4 types of mammals, while in the dry season 19 species of herpetofauna were identified, 23 types of aves, and 2 types of mammals. Based on the results of the analysis conducted on these flora and fauna, there are flora species that have high IVI values and some beautiful and unique flora species that are in the category of endangered species. Besides that, there are also fauna species which have a value of species richness index, species diversity index, and relative species abundance index, as well as some beautiful, unique, and fauna species that are in the category of endangered species.

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Retraction: LUC Algorithm in Visual Cryptography (J. Phys.: Conf. Ser. 1114 012090)

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Journal of Physics: Conference Series 2018年第1期1114卷

作者： Ratnadewi Christian Dio Alpha G Darmawan Napitupulu Heri Nurdiyanto Nuning Kurniasih Abdurrozaq Hasibuan GS Achmad Daengs Rosida Tiurma Manurung Indrya Mulyaningsih Robbi Rahim Castaka Agus Sugianto Dahlan Abdullah Department of Electrical Engineering Universitas Kristen Maranatha Bandung Indonesia Research Center for Quality System and Testing Technology Indonesian Institute of Sciences Banten Indonesia STMIK Dharma Wacana Indonesia Faculty of Communication Sciences Library and Information Science Program Universitas Padjadjaran Bandung Indonesia Universitas Islam Sumatera Utara Indonesia University of 45 Surabaya Indonesia Graduate Program in Scientific Psychology Universitas Kristen Maranatha Bandung Indonesia Department of Education Institut Agama Islam Negeri Syekh Nurjati Cirebon Indonesia School of Computer and Communication Engineering Universiti Malaysia Perlis Kubang Gajah Malaysia Politeknik TEDC Bandung Indonesia Department of Informatics Universitas Malikussaleh Aceh Utara Indonesia

This paper was retracted by IOP Publishing on 12 December 2018. This paper was published due to a technical error and was not intended to be included in this journal. Retraction published: 8 February 2019

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LUC Algorithm in Visual Cryptography

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Journal of Physics: Conference Series 2018年第1期1114卷

Nowadays, messaging technology in digital data form more often used and not less messages that confidentially wanted. Then it should be modified so that can be understood only by the sender and the intended recipients. All of this system can be realization by using cryptography. LUC algorithms are introduced by Smith and Lennon in 1993. LUC algorithm is an algorithm that based on the use of Lucas sequence (specific arithmetic operations derived from Lucas row) that rarely used to enhance the security of the messages. In this research, LUC algorithm is combined with visual cryptography to process the encryption and the description of a colored image. Four different images were used in the trial here. The performance of the system is assessed using Structural similarity (SSIM) which has an assessment similar to human eye. If the image quality is the same as the original image, then the SSIM value is one. Whereas if the quality of decryption image is very different from the original image then the value of SSIM is zero.

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Expression of concern: Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy

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Nanoscale 2024年第9期16卷 4919页

作者： Michael A Casasanta G M Jonaid Liam Kaylor William Y Luqiu Maria J Solares Mariah L Schroen William J Dearnaley Jarad Wilson Madeline J Dukes Deborah F Kelly Department of Biomedical Engineering Pennsylvania State University University Park PA 16802 USA. Debkelly@psu.edu. Materials Research Institute Pennsylvania State University University Park PA 16802 USA. Bioinformatics and Genomics Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park PA 16802 USA. Molecular Cellular and Integrative Biosciences Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park PA 16802 USA. Department of Electrical and Computer Engineering Duke University Durham NC 27708 USA. RayBiotech Life Peachtree Corners GA 30092 USA. Applications Science Protochips Inc. Morrisville NC 27560 USA.

Expression of concern for 'Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy' by Michael A. Casasanta , , 2021, , 7285-7293, https://***/10.1039/D1NR00388G.

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Design of Decision Support System Determination of Inventory Inventory Using Single Exponential Smoothing Forecasting Method

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Journal of Physics: Conference Series 2018年第1期1114卷

作者： Muhammad Iqbal Dahlan Abdullah H Hartono Cut Ita Erliana S Sriadhi Nurmawati M Adhi Prasnowo Abdurrozzaq Hasibuan Akbar Iskandar Kundharu Saddhono Abdussakir Hastuti Musa Muhammad Ikhsan Setiawan Youmeni Sagala Rumiris Siahaan Eka Mayastika Sinaga Anggraini Syahputri Feby Milanie Henry Aspan Muammar Khaddafi Department of Computer System Universitas Pembangunan Panca Budi Medan Indonesia Department of Informatics Universitas Malikussaleh Aceh Indonesia Department of Computer Science STMIK IBBI Medan Indonesia Department of Industrial Engineering Universitas Malikussaleh Aceh Indonesia Department of Electrical Engineering Universitas Negeri Medan Indonesia Faculty of Industry Technique University of 45 Surabaya Indonesia Department of Industrial Engineering Universitas Maarif Hasyim Latif Sidoarjo Indonesia Faculty of Engineering Universitas Islam Sumatera UtaraMedan-Indonesia Informatics Engineering STMIK AKBA Makassar Indonesia Graduate Program Universitas Sebelas Maret Surakarta Indonesia Department of Mathematics Education State Islamic University of Malang Malang Indonesia Department of Mathematics Universitas Muhammadiyah Parepare Indonesia Department of Civil Engineering Narotama University Surabaya Indonesia STIE Bina Karya Tebing Tinggi Indonesia Universitas Pembangunan Panca Budi Medan Indonesia Department of Accounting Universitas Malikussaleh Aceh Indonesia

The development of information and communication technology at this time has touched all sides of life. Almost no side of human life is not touched by this information technology, which is more synonymous with the world of computerization. No exception also with the computerization that is popular in the corporate environment and government agencies. If in ancient times everything was still done manually. However, at this time all leaders and management have realized the importance of this information technology products that can facilitate them in carrying out the day-to-day corporate functions. Decision Making System of goods purchasing is one of the determinants of the accumulation of goods. If the decision is taken right then stockpiling of goods can be avoided. In this thesis the authors designed a web-based system that helps Management in making the decision of the purchase amount of goods. the system was developed by using Microsoft Visual Studio 2010 and using SQL Server database processing applications. The end result of system design is expected to help minimize the accumulation of goods.

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Mapping geographical inequalities in childhood diarrhoeal morbidity and mortality in low-income and middle-income countries, 2000-17: analysis for the Global Burden of Disease Study 2017 (vol 395, pg 1779, 2020)

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LANCET 2020年第10239期395卷 1762-1762页

作者： Reiner, R. C., Jr. Hay, S., I Institute for Health Metrics and Evaluation University of Washington Seattle WA United States Department of Global Health School of Medicine University of Washington Seattle WA United States Department of Health Metrics Sciences School of Medicine University of Washington Seattle WA United States College of Health and Medical Sciences Haramaya University Harar Ethiopia Department of Epidemiology and Biostatistics Haramaya University Harar Ethiopia Department of Medical Laboratory Sciences Haramaya University Harar Ethiopia School of Nursing and Midwifery Haramaya University Harar Ethiopia School of Pharmacy Haramaya University Harar Ethiopia School of Public Health Haramaya University Harar Ethiopia Haramaya University Harar Ethiopia Advanced Diagnostic and Interventional Radiology Research Center Tehran University of Medical Sciences Tehran Iran Cancer Biology Research Center Tehran University of Medical Sciences Tehran Iran Cancer Research Institute Tehran University of Medical Sciences Tehran Iran Department of Economics and Management Sciences for Health Tehran University of Medical Sciences Tehran Iran Department of Environmental Health Engineering Tehran University of Medical Sciences Tehran Iran Department of Epidemiology and Biostatistics Tehran University of Medical Sciences Tehran Iran Department of Health Management and Economics Tehran University of Medical Sciences Tehran Iran Department of Microbiology Tehran University of Medical Sciences Tehran Iran Department of Pharmacology Tehran University of Medical Sciences Tehran Iran Digestive Diseases Research Institute Tehran University of Medical Sciences Tehran Iran Endocrinology and Metabolism Research Center Tehran University of Medical Sciences Tehran Iran Hematology-Oncology and Stem Cell Transplantation Research Center Tehran University of Medical Sciences Tehran Iran Iran National Institute of Health Research Tehran University of Medical Sciences Tehran Iran Metabolomics and

Summary Background Across low-income and middle-income countries (LMICs), one in ten deaths in children younger than 5 years is attributable to diarrhoea. The substantial between-country variation in both diarrhoea incidence and mortality is attributable to interventions that protect children, prevent infection, and treat disease. Identifying subnational regions with the highest burden and mapping associated risk factors can aid in reducing preventable childhood *** We used Bayesian model-based geostatistics and a geolocated dataset comprising 15 072 746 children younger than 5 years from 466 surveys in 94 LMICs, in combination with findings of the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2017, to estimate posterior distributions of diarrhoea prevalence, incidence, and mortality from 2000 to 2017. From these data, we estimated the burden of diarrhoea at varying subnational levels (termed units) by spatially aggregating draws, and we investigated the drivers of subnational patterns by creating aggregated risk factor *** The greatest declines in diarrhoeal mortality were seen in south and southeast Asia and South America, where 54·0% (95% uncertainty interval [UI] 38·1-65·8), 17·4% (7·7-28·4), and 59·5% (34·2-86·9) of units, respectively, recorded decreases in deaths from diarrhoea greater than 10%. Although children in much of Africa remain at high risk of death due to diarrhoea, regions with the most deaths were outside Africa, with the highest mortality units located in Pakistan. Indonesia showed the greatest within-country geographical inequality; some regions had mortality rates nearly four times the average country rate. Reductions in mortality were correlated to improvements in water, sanitation, and hygiene (WASH) or reductions in child growth failure (CGF). Similarly, most high-risk areas had poor WASH, high CGF, or low oral rehydration therapy *** By co-analysing geospatial trends in d

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Retraction: Design of Decision Support System Determination of Inventory Inventory Using Single Exponential Smoothing Forecasting Method (J. Phys.: Conf. Ser. 1114 012082)

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Journal of Physics: Conference Series 2018年第1期1114卷

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Democratising Knowledge Representation with BioCypher

arXiv

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arXiv 2022年

作者： Lobentanzer, Sebastian Aloy, Patrick Baumbach, Jan Bohar, Balazs Charoentong, Pornpimol Danhauser, Katharina Doğan, Tunca Dreo, Johann Dunham, Ian Fernandez-Torras, Adrià Gyori, Benjamin M. Hartung, Michael Hoyt, Charles Tapley Klein, Christoph Korcsmaros, Tamas Maier, Andreas Mann, Matthias Ochoa, David Pareja-Lorente, Elena Popp, Ferdinand Preusse, Martin Probul, Niklas Schwikowski, Benno Sen, Bünyamin Strauss, Maximilian T. Turei, Denes Ulusoy, Erva Heidrun Wodke, Judith Andrea Saez-Rodriguez, Julio Heidelberg University Faculty of Medicine Heidelberg University Hospital Institute for Computational Biomedicine Bioquant Heidelberg Germany The Barcelona Institute of Science and Technology Catalonia Barcelona Spain Catalonia Barcelona Spain Institute for Computational Systems Biology University of Hamburg Germany Earlham Institute Norwich United Kingdom Biological Research Centre Szeged Hungary Heidelberg University Im Neuenheimer Feld 267 Heidelberg69120 Germany Im Neuenheimer Feld 460 Heidelberg69120 Germany Department of Pediatrics Dr. von Hauner Children’s Hospital University Hospital LMU Munich Germany Biological Data Science Lab Department of Computer Engineering Hacettepe University Ankara Turkey Department of Bioinformatics Graduate School of Health Sciences Hacettepe University Ankara Turkey Computational Systems Biomedicine Lab Department of Computational Biology Institut Pasteur Université Paris Cité Paris France Bioinformatics and Biostatistics Hub Institut Pasteur Université Paris Cité Paris France Wellcome Genome Campus Cambridgeshire HinxtonCB10 1SD United Kingdom Open Targets Wellcome Genome Campus Cambridgeshire HinxtonCB10 1SD United Kingdom Laboratory of Systems Pharmacology Harvard Medical School Boston United States Imperial College London London United Kingdom Quadram Institute Bioscience Norwich United Kingdom Proteomics Program Novo Nordisk Foundation Centre for Protein Research University of Copenhagen Copenhagen Denmark Department of Proteomics and Signal Transduction Max Planck Institute of Biochemistry Martinsried Germany Im Neuenheimer Feld 460 Heidelberg69120 Germany Neuherberg Germany Medical Informatics Laboratory University Medicine Greifswald Germany

Standardising the representation of biomedical knowledge among all researchers is an insurmountable task, hindering the effectiveness of many computational methods. To facilitate harmonisation and interoperability despite this fundamental challenge, we propose to standardise the framework of knowledge graph creation instead. We implement this standardisation in BioCypher, a FAIR (findable, accessible, interoperable, reusable) framework to transparently build biomedical knowledge graphs while preserving provenances of the source data. Mapping the knowledge onto biomedical ontologies helps to balance the needs for harmonisation, human and machine readability, and ease of use and accessibility to nonspecialist researchers. We demonstrate the usefulness of this framework on a variety of use cases, from maintenance of task-specific knowledge stores, to interoperability between biomedical domains, to on-demand building of task-specific knowledge graphs for federated learning. BioCypher (https://***) frees up valuable developer time;we encourage further development and usage by the community. © 2022, CC BY-NC-ND.

关键词： Ontology

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