PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 Descriptor: 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, Non-structural pro

Protein Data Bank Japan2024-05-22 更新90

DataSheet3_The Mechanism Action of German Chamomile (Matricaria recutita L.) in the Treatment of Eczema: Based on Dose–Effect Weight Coefficient Network Pharmacology.xlsx

网络药理学

湿疹治疗机制

To determine the active ingredients in German chamomile volatile oil and the mechanism of action in the treatment of eczema, this study used two parameters (ingredient content and oil–water partition

NIAID Data Ecosystem20

Table3_Network Pharmacology-Based Strategy for Elucidating the Molecular Basis Forthe Pharmacologic Effects of Licorice (Glycyrrhiza spp.).XLSX

网络药理学

中药药理机制

Licorice (Glycyrrhiza spp.) is used widely in traditional Chinese medicine (TCM) due to its numerous pharmacologic effects. However, the mechanisms of action of the chemical constituents of licorice a

NIAID Data Ecosystem10

BindingDB Entry 50018784: Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy.

芳香化酶抑制剂

分子对接

Small molecule binding data for protein Aromatase, Uniprot P11511

DataCite Commons2024-04-26 更新60

Hydrogen Bonding Penalty upon Ligand Binding

分子对接

药物结合自由能计算

Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the bindi

Figshare2016-01-18 更新10

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