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   Articles with "discovery" as a keyword



Digital Discovery of Synthesizable Metal−Organic Frameworks via Molecular Dynamics‑Informed, High‑Fidelity Deep Learning

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recommendations! Published in 2025 at "Advanced Functional Materials"

DOI: 10.1002/adfm.202519565

Abstract: Metal–organic frameworks (MOFs) are celebrated for their chemical and structural versatility, and in‑silico screening has significantly accelerated their discovery; yet most hypothetical MOFs (hMOFs) never reach the bench because their synthetic feasibility remains unknown. Herein, a… read more here.

Keywords: deep learning; high fidelity; organic frameworks; discovery ... See more keywords

A Materials Acceleration Platform for Organic Laser Discovery

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recommendations! Published in 2022 at "Advanced Materials"

DOI: 10.1002/adma.202207070

Abstract: Conventional materials discovery is a laborious and time‐consuming process that can take decades from initial conception of the material to commercialization. Recent developments in materials acceleration platforms promise to accelerate materials discovery using automation of… read more here.

Keywords: acceleration platform; organic laser; materials acceleration; discovery ... See more keywords

The Case for a Defect Genome Initiative

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recommendations! Published in 2024 at "Advanced Materials"

DOI: 10.1002/adma.202303098

Abstract: The Materials Genome Initiative (MGI) has streamlined the materials discovery effort by leveraging generic traits of materials, with focus largely on perfect solids. Defects such as impurities and perturbations, however, drive many attractive functional properties… read more here.

Keywords: defect genome; case defect; functional defects; discovery ... See more keywords

Synthetic Aspects and Characterization Needs in MOF Chemistry - from Discovery to Applications.

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recommendations! Published in 2025 at "Advanced materials"

DOI: 10.1002/adma.202411359

Abstract: Even if MOFs are recently developed for large‐scale applications, the road to applications of MOFs is long and rocky. This requires to overcome challenges associated with phase discovery, synthesis optimization, basic and advanced characterization, and… read more here.

Keywords: synthetic aspects; chemistry; aspects characterization; characterization needs ... See more keywords

Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential

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recommendations! Published in 2025 at "Advanced Science"

DOI: 10.1002/advs.202404260

Abstract: The fungal Bromodomain and Extra‐Terminal (BET) protein Bdf1 is a potential antifungal target against invasive fungal infections. However, the need to selectively inhibit both Bdf1 bromodomains (BDs) over human orthologs and the lack of molecular… read more here.

Keywords: bdf1; inhibitors antifungal; bromodomain; candida ... See more keywords

Discovery to Engineering of Mycotoxin Deoxynivalenol Degrading Enzymes Based on the Specialized Glyoxalase I

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recommendations! Published in 2025 at "Advanced Science"

DOI: 10.1002/advs.202502914

Abstract: Deoxynivalenol (DON) is a mycotoxin that is omnipresent in food and feed. Therefore, this study has focused on discovery, molecular characterization, and engineering of DON degrading enzymes, based on a DON isomerizing enzyme (e.g., the… read more here.

Keywords: mycotoxin; specialized glyoxalase; deoxynivalenol; enzymes based ... See more keywords

RESP2: An Uncertainty Aware Multi‐Target Multi‐Property Optimization AI Pipeline for Antibody Discovery

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recommendations! Published in 2025 at "Advanced Science"

DOI: 10.1002/advs.202504350

Abstract: Discovery of therapeutic antibodies against infectious disease pathogens presents distinct challenges. Ideal candidates must possess not only the properties required for any therapeutic antibody (e.g., specificity, low immunogenicity) but also high affinity to many mutants… read more here.

Keywords: pipeline; resp2; antibody discovery; pipeline antibody ... See more keywords

Perimortem versus postmortem damage: The recent case of Cioclovina 1.

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recommendations! Published in 2020 at "American journal of physical anthropology"

DOI: 10.1002/ajpa.24045

Abstract: OBJECTIVES Kranioti, Grigorescu, and Harvati have recently described (PLoS One 2019, 14(7),e0216718) the breakage to the Cioclovina 1 earlier Upper Paleolithic cranium as indicating fatal interhuman blunt trauma. We have reassessed their analysis in terms… read more here.

Keywords: cioclovina; versus postmortem; discovery; damage ... See more keywords

Optimizing depth and type of high‐throughput sequencing data for microsatellite discovery

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recommendations! Published in 2019 at "Applications in Plant Sciences"

DOI: 10.1002/aps3.11298

Abstract: Premise Simple sequence repeat (SSR) markers (microsatellites) are a mainstay of many labs, especially when working on a limited budget, carrying out preliminary analyses, and in teaching. Whether SSRs mined from plant genomes or transcriptomes… read more here.

Keywords: optimizing depth; sequencing data; discovery; throughput sequencing ... See more keywords

Discovery of potent CSK inhibitors through integrated virtual screening and molecular dynamic simulation

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recommendations! Published in 2024 at "Archiv der Pharmazie"

DOI: 10.1002/ardp.202400066

Abstract: Oncogenic overexpression or activation of C‐terminal Src kinase (CSK) has been shown to play an important role in triple‐negative breast cancer (TNBC) progression, including tumor initiation, growth, metastasis, drug resistance. This revelation has pivoted the… read more here.

Keywords: potent csk; discovery; virtual screening; csk ... See more keywords

Lessons in Organic Fluorescent Probe Discovery

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recommendations! Published in 2021 at "ChemBioChem"

DOI: 10.1002/cbic.202100171

Abstract: Fluorescent probes have gained profound use in biotechnology, drug discovery, medical diagnostics, molecular and cell biology. The development of methods for the translation of fluorophores into fluorescent probes continues to be a robust field for… read more here.

Keywords: discovery; probe discovery; fluorescent probe; lessons organic ... See more keywords