首页/数据集/Performance comparison between joint learning and AI-DTI.

Performance comparison between joint learning and AI-DTI.

NIAID Data Ecosystem2026-05-01 收录

药物靶点相互作用

联合学习方法比较

数据链接：

https://figshare.com/articles/dataset/Performance_comparison_between_joint_learning_and_AI-DTI_/22594590 数据链接链接失效反馈

官方服务：

资源简介：

Performance comparison between joint learning and AI-DTI.

应用场景：

创建时间：

2023-04-12

药物靶点相互作用

抗性分析

PyMol session file (.pse) files of the structure of ALK in complex with NVL-655 (original PDB accession 9GBE) with in-silico mutated residues as reported in figure 4. Computational mutagenesis

Figshare2025-01-22 更新40

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib

激酶结构生物学

药物靶点相互作用

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib Descriptor: 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ... Authors: Williams, E, Chen, Z, Burgess-Brown

Protein Data Bank Japan2024-01-31 更新30

Inhibition constants of inhibitors studied in this work.

抑制剂评估

药物靶点相互作用

aStructural information for reference compounds S1 and S2 are depicted in Figure S3.

Figshare2015-12-02 更新20

Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization

蛋白质-小分子共结晶结构

药物靶点相互作用

Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization Descriptor: 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid, Kelch-li

Protein Data Bank Japan2024-03-20 更新40

BindingDB Entry 50018716: β-Carboline alkaloid monomers and dimers: Occurrence, structural diversity, and biological activities.

药物靶点相互作用

天然药物筛选

Small molecule binding data for protein Platelet-derived growth factor receptor alpha/beta, Uniprot P05622 and P26618

DataCite Commons2024-04-26 更新30