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The QSAR analysis of the selected fungal metabolites by ChemDes server.

Figshare2025-06-16 更新2026-04-28 收录

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https://figshare.com/articles/dataset/The_QSAR_analysis_of_the_selected_fungal_metabolites_by_ChemDes_server_/29330639 数据链接链接失效反馈

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The QSAR analysis of the selected fungal metabolites by ChemDes server.

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创建时间：

2025-06-16

蛋白质晶体学

药物发现

Crystal structure of Endothiapepsin in complex with fragment EOS103110 from ECBL-96 Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine, ACETATE IO

Protein Data Bank Japan2025-12-31 更新70

Endothiapepsin crystal B11a from ECBL follow-up screening campaign used for PanDDA ground state calculation

蛋白质晶体学

药物发现

Endothiapepsin crystal B11a from ECBL follow-up screening campaign used for PanDDA ground state calculation

NIAID Data Ecosystem50

Source data for plots in manuscript Integrative Residue-intuitive Machine Learning and Molecular Dynamics Approach to Unveil Allosteric Site and Mechanism for G-protein Couple Receptors

G蛋白偶联受体变构预测

药物发现

Source data for plots in manuscript Integrative Residue-intuitive Machine Learning and Molecular Dynamics Approach to Unveil Allosteric Site and Mechanism for G-protein Couple Receptors

Figshare2024-04-13 更新20

ChEMBL with GNN preds and Eli Lilly

药物发现

化学信息学

ChEMBL SMILES strings with GNN predictions and Eli Lilly demerits

DataCite Commons2025-05-01 更新60

Structural studies of protein tyrosine phosphatase beta catalytic domain co-crystallized with a sulfamic acid inhibitor

蛋白质结构解析

药物发现

Structural studies of protein tyrosine phosphatase beta catalytic domain co-crystallized with a sulfamic acid inhibitor Descriptor: CHLORIDE ION, MAGNESIUM ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-MET

Protein Data Bank Japan2023-08-30 更新40

The QSAR analysis of the selected fungal metabolites by ChemDes server.

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