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

Deep-Learning vs Physics-Based Docking Tools for Future Coronavirus Pandemics

分子对接

冠状病毒药物发现

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

Optimizing Cardiovascular Treatment in Non-Small Cell Lung Cancer: A Comprehensive Computational Approach for Assessment of Drug-Drug Interactions between Tyrosine Kinase Inhibitors and Cardiovascular Drugs

药物相互作用预测

临床用药优化

Background As lung cancer treatment has progressed, there has been a rise in awareness of the short- and long-term adverse effects of targeted cancer therapies with tyrosine kinase inhibitors, p

Figshare2025-02-20 更新30

List of possible drug interactions with the identified HCoV-host cluster.

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