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Published in 2021 at "Computer Science Education"
DOI: 10.1080/08993408.2021.1874229
Abstract: ABSTRACT Background and Context: Computational thinking (CT) is an essential skill for all youth to succeed in our technology and information-rich world. While CT has a growing presence within K-12 classrooms, libraries play an essential…
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Keywords:
thinking libraries;
thinking;
computational thinking;
assessing computational ... See more keywords
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Published in 2024 at "Briefings in Bioinformatics"
DOI: 10.1101/2024.01.31.578169
Abstract: The advent of rapid whole-genome sequencing has created new opportunities for computational prediction of antimicrobial resistance (AMR) phenotypes from genomic data. Both rule-based and machine learning (ML) approaches have been explored for this task, but…
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Keywords:
resistance;
antimicrobial resistance;
computational predictions;
assessing computational ... See more keywords
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Published in 2025 at "Journal of Chemical Theory and Computation"
DOI: 10.1101/2025.09.25.678535
Abstract: Accurate evaluation of binding affinity is critical in drug discovery to identify molecules that bind strongly to their targets while minimizing off-target effects. Although binding affinity calculations are theoretically well-defined, they require exhaustive sampling of…
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Keywords:
evaluation antibody;
antibody;
strategies evaluation;
computational strategies ... See more keywords
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Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2023.1107400
Abstract: Integrins in the cell surface interact with functional motifs found in the extracellular matrix (ECM) that queue the cell for biological actions such as migration, adhesion, or growth. Multiple fibrous proteins such as collagen or…
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Keywords:
computational pipeline;
pipeline identify;
binding motifs;
motifs integrin ... See more keywords