Performance summary of CSAR models for predicting M<sup>pro</sup> inhibitors of SARS-CoV-2.

NIAID Data Ecosystem2026-05-01 收录

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https://figshare.com/articles/dataset/Performance_summary_of_CSAR_models_for_predicting_M_sup_pro_sup_inhibitors_of_SARS-CoV-2_/23569398 数据链接链接失效反馈

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Performance summary of CSAR models for predicting Mpro inhibitors of SARS-CoV-2.

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2023-06-23

Synthesis and Biological Profiling of Pyrazolo-Fused 7‑Deazapurine Nucleosides

抗癌活性筛选

抗病毒药物发现

A series of 8-substituted 1-methyl-1,4-dihydropyrazolo[3′,4′:4,5]pyrrolo[2,3-d]pyrimidine (methylpyrazolo-fused 7-deazapurine) ribonucleosides have been designed and synthesized. Two synthetic app

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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57473948 (A71EV2A-x1292)

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晶体学片段筛选

Protein Data Bank Japan2024-10-16 更新20

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with WAR-XCH-72a8c209-5 (Mpro-x10728)

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结构生物学

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with WAR-XCH-72a8c209-5 (Mpro-x10728)

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Table1_Identification of compelling inhibitors of human norovirus 3CL protease to combat gastroenteritis: A structure-based virtual screening and molecular dynamics study.docx

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分子动力学模拟

Human noroviruses (NV) are the most prevalent cause of sporadic and pandemic acute gastroenteritis. NV infections cause substantial morbidity and death globally, especially amongst the aged, immunocom

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Data for Figs 1, S2 and S3.

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疱疹病毒靶点验证

Human cytomegalovirus (HCMV) is an important pathogen for which new antiviral drugs are needed. HCMV, like other herpesviruses, encodes a nuclear egress complex (NEC) composed of two subunits, UL50 an

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Performance summary of CSAR models for predicting M<sup>pro</sup> inhibitors of SARS-CoV-2.

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