数据链接:
官方服务:
资源简介:
No description provided.
应用场景:
创建时间:
2021-01-17
相关数据集
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods
Ligand-based methods play a crucial role in virtual screening when the 3D structure of the target is not available. This study discusses the results of a validation study of the CSD field-based ligand
NIAID Data Ecosystem100
Ligand-Based NMR Study of C‑X‑C Chemokine Receptor Type 4 (CXCR4)–Ligand Interactions on Living Cancer Cells
Peptide-binding G protein-coupled receptors (GPCRs) are key effectors in numerous pathological and physiological pathways. The assessment of the receptor-bound conformation of a peptidic ligand within
Figshare2018-03-19 更新50
Synthesis of Structurally Defined Scaffolds for Bivalent Ligand Display Based on Glucuronic Acid Anilides. The Degree of Tertiary Amide Isomerism and Folding Depends on the Configuration of a Glycosyl Azide
Syntheses and structural analyses of bivalent carbohydrates based on anilides of glucuronic acid are described. Secondary anilides predominantly adopted the Z-anti structure; there is also evidence fo
NIAID Data Ecosystem40
Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex
Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dop
Protein Data Bank Japan2025-07-02 更新70
ligands_10k_supplementary data for Information Force Framework: A Conceptual Model for Ligand Ranking in Drug Design
This paper presents a proof-of-concept framework for rapid, interpretable ligand ranking based on information vector theory and ordinary differential equations (ODEs). The method represents molecular
NIAID Data Ecosystem40



