Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
收藏NIAID Data Ecosystem2026-05-02 收录
数据链接:
官方服务:
资源简介:
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
应用场景:
创建时间:
2024-10-30
相关数据集
DataSheet1_In silico Docking Analysis for Blocking JUNO‐IZUMO1 Interaction Identifies Two Small Molecules that Block in vitro Fertilization.docx
Combined hormone drugs are the basis for orally administered contraception. However, they are associated with severe side effects that are even more impactful for women in developing countries, where
NIAID Data Ecosystem110
Dataset supporting MOLSMARTS: Benchmarking of a virtual Pharmacophore-based SMARTS Reaction Chemical Library
1. Research introduction A pharmacophore-based SMARTS reaction-driven virtual chemical library (MOLSMARTS and atom base library generation (MOLHYBRID), which both can generate chemically valid, synthe
Mendeley Data60
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 Descriptor: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Talibov, V.O, Kozielski, F, Sele,
Protein Data Bank Japan2024-01-31 更新20
Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure
The heme enzyme myeloperoxidase (MPO) participates in innate immune defense mechanism through formation of microbicidal reactive oxidants. However, evidence has emerged that MPO-derived oxidants contr
NIAID Data Ecosystem80
Deep-Learning vs Physics-Based Docking Tools for Future Coronavirus Pandemics
The COVID-19 pandemic revealed the urgent need for faster and more accessible drug discovery for future coronavirus outbreaks. We participated in the Polaris Antiviral Drug Discovery 2025 competition
Figshare2025-10-23 更新40



