General metrics of the tested models on inhibitor analysis.

NIAID Data Ecosystem2026-05-10 收录

抑制剂活性预测

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https://figshare.com/articles/dataset/General_metrics_of_the_tested_models_on_inhibitor_analysis_/30865080 数据链接链接失效反馈

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General metrics of the tested models on inhibitor analysis.

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2025-12-11

In silico evaluation of the inhibitory potential of nucleocapsid inhibitors of SARS-CoV-2: a binding and energetic perspective

药物重定位

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The COVID-19 outbreak brought on by the SARS-CoV-2 virus continued to infect a sizable population worldwide. The SARS-CoV-2 nucleocapsid (N) protein is the most conserved RNA-binding structural protei

Taylor & Francis Group2024-06-26 更新60

Shows the frequencies of substructure fragments in the inhibitors and non-inhibitors.

分子子结构频率分析

抑制剂活性预测

Shows the frequencies of substructure fragments in the inhibitors and non-inhibitors.

NIAID Data Ecosystem50

Table4_An ECHO of Cartilage: In Silico Prediction of Combinatorial Treatments to Switch Between Transient and Permanent Cartilage Phenotypes With Ex Vivo Validation.XLSX

软骨细胞命运调控

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A fundamental question in cartilage biology is: what determines the switch between permanent cartilage found in the articular joints and transient hypertrophic cartilage that functions as a template f

NIAID Data Ecosystem20

Molecular docking: Hydroxychloroquine alternative to inhibit the COVID-19 main protease (MPro)

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抗病毒药物设计

Docking study shows best binding affinity against the main protease of COVID-19. Email ID: contact@findrug.org

Figshare2020-05-09 更新60

Prioritizing neuroactive ligands using motif-guided docking and zebrafish profiling

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神经药理学验证

Virtual screening of ultra-large chemical libraries is a highly effective strategy for early-stage drug discovery. However, these pipelines often yield thousands of molecules that pass computational f

Zenodo2026-03-13 更新40

General metrics of the tested models on inhibitor analysis.

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