Neuraminidasa.zip

Figshare2018-10-31 更新2026-04-08 收录

流感药物设计

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https://figshare.com/articles/Neuraminidasa_zip/7283402/1 数据链接链接失效反馈

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Original PDBs and mol2 files for neuraminidase 2HT8 and the antivirals oseltamivir, zanamivir and permitir.

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2018-10-31

Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulations

抗病毒肽设计

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The changes in the SARS-CoV-2 genome have resulted in the emergence of new variants. Some of the variants have been classified as variants of concern (VOC). These strains have higher transmission rate

Taylor & Francis Group2023-11-09 更新60

Docking scores and energy minimization of target proteins.

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蛋白质-配体相互作用

Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.

Figshare2020-09-03 更新30

The docking parameters and scores of hub targets with their optimal ligands.

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药物靶点筛选

The docking parameters and scores of hub targets with their optimal ligands.

Figshare2025-10-03 更新20

Best docking scores among the different LeuRS domains.

蛋白质结构域对接

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Best docking scores among the different LeuRS domains.

NIAID Data Ecosystem40

Quantum mechanical, virtual screening, molecular docking, molecular dynamics, ADME and antimicrobial activity studies of some new indole-hydrazone derivatives as potent agents against E. faecalis

抗菌药物开发

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In this study, a new series of indole-5-carbaldehyde hydrazone derivative compounds were designed, synthesized, and their antimicrobial activities were determined by the microdilution method, and the

Taylor & Francis Group2022-12-26 更新20

Neuraminidasa.zip

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