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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Computational Methodologi" (30 stories)

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First-principles screening of materials with extreme effective masses
Lead StoryalphaXivgeneral
Dec 1, 2025

First-principles screening of materials with extreme effective masses

<a href="https://news.google.com/rss/articles/CBMiUEFVX3lxTFB3MzBUU2RqTXhLRWxzVjNLQ2NXQmsyNFNIRmllZERjRnAtZExhTUNSU3FZY3I5MXRPSWZjS2c1cEJyeU1yVExzcDNTWGdBYkVk?oc=5" target="_blank">First-principles screening of materials with extreme effective masses</a>  <font color="#6f6f6f">alphaXiv</font>

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Search Results for "Computational Methodologi"

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29 stories displayed
Computational methodology for drug discovery
Naturegeneral

Computational methodology for drug discovery

<a href="https://news.google.com/rss/articles/CBMiWEFVX3lxTE8xY1RSTjZycVh6YnV6a0VMelZOUnJ5SnpMNFI4R2NXU3dFXzNBTHdQNTJBZzNobTRrSGRNNkdPVGpPNU9mS09GckszeUJQM2d0WEYwU3ZSV1o?oc=5" target="_blank">Computational methodology for drug discovery</a>  <font color="#6f6f6f">Nature</font>

Computational methodology and molecular dynamics analysis of andrographolide bioactivity against Cutibacterium acnes
Frontierstech

Computational methodology and molecular dynamics analysis of andrographolide bioactivity against Cutibacterium acnes

<a href="https://news.google.com/rss/articles/CBMikAFBVV95cUxQRjRwTjR4d0dKQ3UzNmFyOGUteTVqSWMxaUxfRzdJbGhoRlI0N3YyREVucjVuMU9pWEs0S3VyYWtKdEpvbXZ4UU1Xc0dDQVlDR0NXZkdmcUVnVkY2SGI2aV9fd1doMGFZUGRmU0paMlYyRDVtbEx6enBoY19rQnY0Ny1CQnNhbHZtY0xsMnBSclY?oc=5" target="_blank">Computational methodology and molecular dynamics analysis of andrographolide bioactivity against Cutibacterium acnes</a>  <font color="#6f6f6f">Frontiers</font>

Zhiping Weng named inaugural chair of the Department of Genomics & Computational Biology
UMass Chan Medical Schooltech

Zhiping Weng named inaugural chair of the Department of Genomics & Computational Biology

<a href="https://news.google.com/rss/articles/CBMi4gFBVV95cUxOSmFfMndmVTZMNFpTenh1VzFFNkp6OUlBQ2c3U0pKaUJlWG5qYUNyNjR1NHZMalFRU0lka3gwdHh4X1ZWX1JnLU1hR1ZjVkhMVmxyUmlzSTV2WGxTcy1QTGtQaDVZeGdJSkplWjRzejBjRi1KeHFXNEpKOUM4SUpvZnNVMGN2VWp6TGZfaDVka0NNYU1DeEtra29VMEtwRmtBdWdTWWlfQk1XZjdEcXlDWTV3UmxSTnNXRWU2UEF2RlptQU8tSGV4MVoxNXdzUl9sNUlSaTFhSURpZ0VTbzZxTjBB?oc=5" target="_blank">Zhiping Weng named inaugural chair of the Department of Genomics & Computational Biology</a>  <font color="#6f6f6f">UMass Chan Medical School</font>

Collaboration on Data and Computational Sciences Announces Next Round of Projects to Advance Cancer Breakthroughs
UT MD Andersonscience

Collaboration on Data and Computational Sciences Announces Next Round of Projects to Advance Cancer Breakthroughs

<a href="https://news.google.com/rss/articles/CBMi_AFBVV95cUxQSkg3akZmcFZYaW1vMjg0elU4RllDTDdyUXE3Z2xTNzByenZ6cjlUelBaNm1WSkRpSWxQNk5RckJTWDBtRXREclk5QnUtMGh6UFVOLVQ4ZFlXWDFteW91N3F0UlRFczJnWlJjMnVxSkFVejJmV19EcFlTUWM5bWJReGRuZWJYQ0VtMm12VW5EWU5ZVEJKU2k4Vmpld3huU1RZdXRmTHF6aEhKQl8tOGFqcGxHeGlsNm9wS3NDU2k1aDRib2hhNmwzXzJFN0VQaE5WWkNxNUxSNjdOVnNJN3FCZ3lsSmk2eGI2Q0NEc1Y4WWJ3TWVnaVVlc3BXclE?oc=5" target="_blank">Collaboration on Data and Computational Sciences Announces Next Round of Projects to Advance Cancer Breakthroughs</a>  <font color="#6f6f6f">UT MD Anderson</font>

Making evidence go further: Advancing synergy between agent-based modeling and randomized control trials
PNASgeneral

Making evidence go further: Advancing synergy between agent-based modeling and randomized control trials

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE83dGRjVEQ0RmJCdHBYZXBQdFItUzh6MHhEaWJDcmJiaERnTlJDLWhrOGdfQm9KQVRRQTd2WDk5T0xZWTdrUGZxMUpJdElnM0Vfb2JHenNEamNEd2ho?oc=5" target="_blank">Making evidence go further: Advancing synergy between agent-based modeling and randomized control trials</a>  <font color="#6f6f6f">PNAS</font>

Transcriptomic Data in Multiple Myeloma Prognosis
Cleveland Clinicgeneral

Transcriptomic Data in Multiple Myeloma Prognosis

<a href="https://news.google.com/rss/articles/CBMiuAFBVV95cUxPTEFIcV8zMjBVb1VqT3g4c25iSWNCNGpOMWRiSnJpMjAwS05LYlFrRDJ3SVZoaUpuSmljNkoxcHlWd3FFV0w3R012WWF5WGdzWmt3eXJKY25ZTEMxT1ZEem9odGtIZHc1SW9lakhBSmJqdnJCYllJU0hWY0RVQUxtX202eWZUQWZRajFJQ0hlMmRoZ3BfUmlucEU3Y1I0aktncGhXWmpJLTNkZUxYV3RiTVlFWmxVNldN?oc=5" target="_blank">Transcriptomic Data in Multiple Myeloma Prognosis</a>  <font color="#6f6f6f">Cleveland Clinic</font>

Musings from The Power List: Ann Cleves
The Medicine Makergeneral

Musings from The Power List: Ann Cleves

<a href="https://news.google.com/rss/articles/CBMinAFBVV95cUxPRVZaWGVKMjlLR2xsOTZnSHJ0QzF6aEo2SHZCQzRMQzRsUENuUzVWb21TaWtETXJhWkdhNjUzSzlEeDBKOXl3ZXE1R2NKbllOX3h3MEtYcVpXeXVtQWM5SGF6UlVtV3hxOVpWZmhyZWh2VXIzTTQwdk1yQVZrVDdUM2w3R19ZM2hUUFA3ZTgxaS02MmNHb1RnR3QxaXg?oc=5" target="_blank">Musings from The Power List: Ann Cleves</a>  <font color="#6f6f6f">The Medicine Maker</font>

Bazilevs receives 2021 ASME Materials Division Centennial Mid-Career Award
Brown Universitygeneral

Bazilevs receives 2021 ASME Materials Division Centennial Mid-Career Award

<a href="https://news.google.com/rss/articles/CBMia0FVX3lxTE1SVi04N1ZnSTctdlAxZ3ZHMTBYaXpzTndwLVJOSG5yVmJWRTB1X3VnZGdWWWVSNkZlUjJ1TEFYczFEeW9aM2pqSXBTQjNGY1llbDQzbmJTcnhjWDlzOGJIbFVtTENwcmhDSTJr?oc=5" target="_blank">Bazilevs receives 2021 ASME Materials Division Centennial Mid-Career Award</a>  <font color="#6f6f6f">Brown University</font>

A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions
Wiley Online Librarygeneral

A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions

<a href="https://news.google.com/rss/articles/CBMiakFVX3lxTE1PcWtnMUh6ZWdQUlNTV0dsZ29uMHFLNTZLTVU5VDZ1a3J0ZkRLa0loMmx6Z0dtd2s5RC0tLS1HeEh6ak9VZlBpNXMzLU5jNzZGU1dYdEZEeTVwLXRITEM2bGtpcHJMclQ0Zmc?oc=5" target="_blank">A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions</a>  <font color="#6f6f6f">Wiley Online Library</font>

The chore of packing just got faster and easier
MIT Newsgeneral

The chore of packing just got faster and easier

<a href="https://news.google.com/rss/articles/CBMie0FVX3lxTE1fNkJkN1hFcjNqSm1nSFhpVXJ2YUF1N1hONGdzbDlvZjZwNm9XQi1odnJNZW1ZMnRrQXN1TGdxX0FER2lVZmZLVFhkNFA2MWoyX3JJUWFwc1NWSUNmUjFyMzFESzQwTGprZjk2Ulo5aXZDX1hDWldSTjFhMA?oc=5" target="_blank">The chore of packing just got faster and easier</a>  <font color="#6f6f6f">MIT News</font>

Parametric design and the question of function
Meer | English editionworld

Parametric design and the question of function

<a href="https://news.google.com/rss/articles/CBMigwFBVV95cUxQUUxHcHppLVRuclBkOFZnMUpQX19uT09jNFhqcnhhX3hVZUNVdWRkX0F1OS1UVVoyYnpoZkhrb0VOdmZVc1dySERMVm9zSjNpYXpGXzNkUUFqcjRodmtlRFZmbUVYbFFfWnlSM3VwYkN0UXBzeWhtbjZuTnNUcHg2TDUyTQ?oc=5" target="_blank">Parametric design and the question of function</a>  <font color="#6f6f6f">Meer | English edition</font>

Computational methodology for drug discovery
Naturegeneral

Computational methodology for drug discovery

<a href="https://news.google.com/rss/articles/CBMid0FVX3lxTE9TS3doSXNzRjRzdllhUTd0UlM3dWZwenVMWUJhay1QNlJtOTliVk5YMUYwVVhPdU9kMHNEbWdzMXZkeVptRWVrd3p6UGNSM3dNRUMyMXR6Q0xsQXhDcXc1VlBmLWtFZTNLRXhWQ2M0dE9hMHpmY2FJ?oc=5" target="_blank">Computational methodology for drug discovery</a>  <font color="#6f6f6f">Nature</font>

Editorial: Systems Biology Methods in Computational Immuno-Oncology
Frontiersworld

Editorial: Systems Biology Methods in Computational Immuno-Oncology

<a href="https://news.google.com/rss/articles/CBMijgFBVV95cUxNRkJtdGpjTURVRVpTLXBBVjJwdjNnaUk1SFB2bGJ5cS1VTGphdkV1ei1KamJCNUU3ZS1QbDRTNVNkNzBqQ055QUN2Tld6WXYzMWJELWtKOGhkVWs1Y09td3RtQlA5Z1BaMExucHUtNFRTNzlUYk1PcTd1STJzMF9mZFNfckV6ek5hTEgwN3NR?oc=5" target="_blank">Editorial: Systems Biology Methods in Computational Immuno-Oncology</a>  <font color="#6f6f6f">Frontiers</font>

Harnessing Artificial Intelligence for Drug Repurposing
Cleveland Clinicgeneral

Harnessing Artificial Intelligence for Drug Repurposing

<a href="https://news.google.com/rss/articles/CBMimAFBVV95cUxNc3BFWFM2MXlSdVpaYW83X0NXb0RRRktIaHo5S0FkVThFZmtlUmpZeFJ4S2g1WDl1ai16eGxycURWUGlVX3JLUTctM1RpYUdIVkVQb0JhbGtfbmFtZ0hYS0hOYnZJN2ZMazRZWEFsVExWUXJBQk1keE9mcDBldzV1MWx3TXRWcTBTbko5ZmFSVjhES1oyUGJ4aQ?oc=5" target="_blank">Harnessing Artificial Intelligence for Drug Repurposing</a>  <font color="#6f6f6f">Cleveland Clinic</font>

ENCORE: a practical implementation to improve reproducibility and transparency of computational research
Naturegeneral

ENCORE: a practical implementation to improve reproducibility and transparency of computational research

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5GSEtjUkFuQmRHWkdXbnl3Q2wtRlUwRTFrcGtTRnVWOUtLa0dPczhBUWdrSE1jSGtpUGpBTlFLZ2l0R1BaTkNqMHlZY01uV3hfU3U1V3doZWFNN2pKNnVR?oc=5" target="_blank">ENCORE: a practical implementation to improve reproducibility and transparency of computational research</a>  <font color="#6f6f6f">Nature</font>

Computational identification of PTPRJ peptide targeting the Epstein Barr virus latent membrane protein 1
Naturegeneral

Computational identification of PTPRJ peptide targeting the Epstein Barr virus latent membrane protein 1

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFB3S3JHcndyZjEzeHJCcFk0Y2FUa0RvREdEQ1NyVU1JZlRmbWNMc3o4aGozMXNQaTJUdzFZLW80dk5oeEZTMkhYUnhIb1M0OHFfSFFWd3pIVWVkel9wLXhz?oc=5" target="_blank">Computational identification of PTPRJ peptide targeting the Epstein Barr virus latent membrane protein 1</a>  <font color="#6f6f6f">Nature</font>

A computational framework for extracting biological insights from SRA cancer data
Naturegeneral

A computational framework for extracting biological insights from SRA cancer data

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9uZFBsUWVOeG1OS2ZxM2JLRjF5QnBJZEM4b2NZbW8zRTA5cVZZWkprVVZMZHY0VE93QmdaVGJwMkU2Y0F5dGFoM0ZvbjVxQUw1SWpFMkw3QWV6ZUdZeGZR?oc=5" target="_blank">A computational framework for extracting biological insights from SRA cancer data</a>  <font color="#6f6f6f">Nature</font>

A momentum-resolved view of polaron formation in materials - npj Computational Materials
Naturegeneral

A momentum-resolved view of polaron formation in materials - npj Computational Materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE52Y2tycjFJNjlwck5rS05kR0RPMFJla2NWai1qeW1aa0FFcnVEdi15M2xDMi04cWNicXFWdk56S1lRUnllTkd0c2dqdURxczZrNmZ4V2JYcTFrT2o1Qi1z?oc=5" target="_blank">A momentum-resolved view of polaron formation in materials - npj Computational Materials</a>  <font color="#6f6f6f">Nature</font>

-dimensional objects via a Skyrmion-inspired overlaying (
Naturegeneral

-dimensional objects via a Skyrmion-inspired overlaying (

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1iTlJtc2JHODR1YVpscEk1VXh5eF9OVHFTREJYZzBQd2I4bjcwUXBtSGtmTTN0MHRRRW5mM254OHFlVWVKbHgyUmN5ZDdNMWFGc2xzMDdrLXVGV3JQckZj?oc=5" target="_blank">-dimensional objects via a Skyrmion-inspired overlaying (</a>  <font color="#6f6f6f">Nature</font>

Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model System
Wiley Online Librarygeneral

Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model System

<a href="https://news.google.com/rss/articles/CBMicEFVX3lxTE14dFNKU3BwNjMtRFdHQ2VwZUdsWGxCVktmdjdhX0JxY2QtTmpFQlRWdTcwZV9LdXpiQjZsOFJJSDRSMzh6T0w2djJjSmVONHozNndDQ0p1Ri1TWldCUGxlYWZEWWM5WlpGTUNYbFAzU2I?oc=5" target="_blank">Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model System</a>  <font color="#6f6f6f">Wiley Online Library</font>

Computational study of the transamination reaction in vinylogous acyls: Paving the way to design vitrimers with controlled exchange kinetics
Wiley Online Librarygeneral

Computational study of the transamination reaction in vinylogous acyls: Paving the way to design vitrimers with controlled exchange kinetics

<a href="https://news.google.com/rss/articles/CBMibkFVX3lxTE8yRUxMcTFRMkNyLTVxRTV4WGNSczdWWE9BbEFQYXpINUV4Y0JESnJGU3BVZlVrT1hnOUxXV0RMd2VIa0JydEl4cXdiVm94RUlVSW03MXp2NzlHcG9uUE5iVGZzektxUjBESXlrWDZR?oc=5" target="_blank">Computational study of the transamination reaction in vinylogous acyls: Paving the way to design vitrimers with controlled exchange kinetics</a>  <font color="#6f6f6f">Wiley Online Library</font>

UNC Charlotte professor Kyle Spence brings JazzSpace and community design to Mint Museum talk
QCity Metroscience

UNC Charlotte professor Kyle Spence brings JazzSpace and community design to Mint Museum talk

<a href="https://news.google.com/rss/articles/CBMi0AFBVV95cUxQTFFXRE5PbFJqZFY4U2hWTmJYNmwxUkpnRW1BZTBzMkVGSkV1VWxuendqaHR6WER6a0J5Z29Qa1hZSDQ0RnNNQVdBc1Z3RGQ4WjBETGZ6ME9ScXI2aVZSNlVhVWRCTTllREt3VUtZdGtITGY2Y2xXTkhXTUVvblNmNGNCUFNrZGdSelRwX3BTZkh0U3NHdVd4Y3lHNTFUQ2JVRWx0UXR0Q1Z5eW9vTHMxb2JOcFNWanU2OS1TQURGMUxQa0xTdnZ1bDl1R2Vrb1Jh?oc=5" target="_blank">UNC Charlotte professor Kyle Spence brings JazzSpace and community design to Mint Museum talk</a>  <font color="#6f6f6f">QCity Metro</font>

Cleveland Clinic research identifies sildenafil as candidate drug for Alzheimer’s disease
EurekAlert! Science News Releasesgeneral

Cleveland Clinic research identifies sildenafil as candidate drug for Alzheimer’s disease

<a href="https://news.google.com/rss/articles/CBMiW0FVX3lxTE5jb1pXV21LakVINklsVko4aXRiaW5ZRG5tU0lJc2MtZFBqUURHQnB4d0t3WUxWTFY4RV9BbGhFeDNndUpjR2lCeDdKT25ZRFQ4RkhoOXh3eWdyVUU?oc=5" target="_blank">Cleveland Clinic research identifies sildenafil as candidate drug for Alzheimer’s disease</a>  <font color="#6f6f6f">EurekAlert! Science News Releases</font>

Development of a nonlinear computational methodology for analysis and design of stiffened composite structures
TU Delftgeneral

Development of a nonlinear computational methodology for analysis and design of stiffened composite structures

<a href="https://news.google.com/rss/articles/CBMihgJBVV95cUxQYXFhS3AzVjk0d0k1dTBva0RmeUg3VERFeTZmN2JEaDYzU3dZVTlQT09PZVZoU2VwWkJ6aTZydjlkR3lzamdhYkpiM0VBWGlOcjgyV0psaXpzSjBISU9iMnVrdXI3ZHk3TUxTTTV6NDhCRVA4VURaRGZVUmJPQTI4RG1wdVdFcFllM3licVRXUzdBN2ItMlZCU196eWxiLW94elRBX0VISE5EbjJyMzc1MHlwM3NyM0NCby0wTmVNdDlmenoyM1NVWWFYYm9rSkktRVpUR2piVHZDZVBfaFVwaVYwb1FyeDJQWW5qenlJWVA2RWgwLTJqdVJkMTJORGpHOGN0Zkt3?oc=5" target="_blank">Development of a nonlinear computational methodology for analysis and design of stiffened composite structures</a>  <font color="#6f6f6f">TU Delft</font>

Supercomputers reveal how X chromosomes fold, deactivate
EurekAlert! Science News Releasesgeneral

Supercomputers reveal how X chromosomes fold, deactivate

<a href="https://news.google.com/rss/articles/CBMiW0FVX3lxTE5TU1NvcWxnSnlSNlZIYnQzZkhleHdCdDRoZ3FWV2JFdm1MUUF3SE9nVlVWSVpZa3g2NUoyRFZtY3VPSXNQNHBiRzlwSi16dFA2b2ptTnZqbmI5Nzg?oc=5" target="_blank">Supercomputers reveal how X chromosomes fold, deactivate</a>  <font color="#6f6f6f">EurekAlert! Science News Releases</font>

Structure‐based pharmacophore modeling for precision inhibition of mutant ESR2 in breast cancer: A systematic computational approach
Wiley Online Librarygeneral

Structure‐based pharmacophore modeling for precision inhibition of mutant ESR2 in breast cancer: A systematic computational approach

<a href="https://news.google.com/rss/articles/CBMia0FVX3lxTE1kM0JpLW1TLUVseUpNYUVqd1M1aTd3X0I1S3BzaFJYUUszNU5FUUFKMUVtSE1SZHR3eGROZ2lXZ0hTQmpZbUl1U2ZjRkdCVlgtLUExNjVab0N1eHFtSDl1MVJuZmljZHV2TjJF?oc=5" target="_blank">Structure‐based pharmacophore modeling for precision inhibition of mutant ESR2 in breast cancer: A systematic computational approach</a>  <font color="#6f6f6f">Wiley Online Library</font>

Advanced Simulation Tool Enhances Understanding of Polyoxometalate Chemistry
AZoNanoworld

Advanced Simulation Tool Enhances Understanding of Polyoxometalate Chemistry

<a href="https://news.google.com/rss/articles/CBMiWkFVX3lxTFBjWjdicEZfSWhPT2NxRHh3d0MwSkNnRzhFbUVQcUVZWld1LWtKRWw4Szc2UmZnTkhlcHNTazJFVDFjWDJLQVVXSVFSdVJRajNiX1lYQ0VDM0lLdw?oc=5" target="_blank">Advanced Simulation Tool Enhances Understanding of Polyoxometalate Chemistry</a>  <font color="#6f6f6f">AZoNano</font>

Defining the Undefined: GMV and the Measurement Gap in India’s Digital Merger Control
PYMNTS.comworld

Defining the Undefined: GMV and the Measurement Gap in India’s Digital Merger Control

<a href="https://news.google.com/rss/articles/CBMiuAFBVV95cUxNM1VBVUg3YmlLa0M2Q0JkTUN3Q2xfQ05JaDVLclYwUzFvR19ZamdudnpDNXRKWU5jSUhISzN6bEFZSzJMVVFFTVNXZlotWndSUkRyZGt6N29iVTBoNWoyU1NPX1J1XzdyZXpEdjJNNUwzY1BVYWJaaTN5X1ZndlFYc1NRUmQ4RVpsdmhZbHMzMm5YYnV6S3BpNThvU0gwUkZJRDVHZUYyT0FrMXAwSUhlRXJVRlNDLTNl?oc=5" target="_blank">Defining the Undefined: GMV and the Measurement Gap in India’s Digital Merger Control</a>  <font color="#6f6f6f">PYMNTS.com</font>

Cancer Cells Feel Acid's Sting
Genetic Engineering and Biotechnology Newsgeneral

Cancer Cells Feel Acid's Sting

<a href="https://news.google.com/rss/articles/CBMib0FVX3lxTE0tSjhLbXVXMFFwTDJRM0F4NWtqYk5LX185d1RUUFY1c2xGRzdBUVlaVENaeEdBYmxlRlNiYi1FV2pSSGdqWW42aWlEdmtjNlc0TU1SX0NiMmFOQWd0MEVZVF8tVm1PaGF4VTVZT0UtSQ?oc=5" target="_blank">Cancer Cells Feel Acid's Sting</a>  <font color="#6f6f6f">Genetic Engineering and Biotechnology News</font>

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