苗头化合物发现

Hit Compounds Discovery

我们提供化合物筛选服务。通过利用高通量化学文库筛选技术,我们为靶点发现和先导化合物优化提供强大支持。我们的服务包括大规模化合物库筛选、定制筛选策略、先进的自动化平台、数据分析,以及结构活性关系(SAR)研究。

Utilizing high-throughput chemical library screening technology, we provide robust support for target discovery and lead compound optimization. Our services include large-scale compound library screening, customized screening strategies, advanced automation platforms, data analysis, and structure-activity relationship (SAR) studies.

1. HTS Compounds Screening

高通量小分子库 (约8万)

分子库类型未能尽录, 可先进行化合物虚拟筛选。敬请垂询。

Our extensive molecular libraries encompass a wide range of compounds. For optimal efficiency, we recommend initiating your research with virtual screening. Please reach out to us for comprehensive information about our services and methodologies.

2. Virtual Screening

虚拟筛选

药物虚拟筛选服务利用计算方法评估大型化合物库与特定生物靶点的相互作用。运用先进算法和分子建模技术预测化合物与靶点的相互作用,提供了经济高效且节省时间的药物候选物识别方法。

By employing advanced algorithms and molecular modeling techniques to predict compound-target interactions, providing a cost-effective and time-efficient method for identifying drug candidates.

3. Molecular dynamics (MD) simulation

分子动力学模拟

分子动力学(MD)模拟是一种强大的计算工具,用于研究药物分子与生物靶标的相互作用。MD模拟能在原子层面上模拟分子运动,提供详细的原子级相互作用信息,指导先导化合物优化,揭示耐药机制,并助力改进药物递送系统设计。

Molecular dynamics (MD) simulation is a powerful computational tool for studying interactions between drug molecules and biological targets. These simulations model molecular movements at the atomic level, offering detailed insights into atomic-level interactions. MD simulations guide lead compound optimization, uncover resistance mechanisms, and enhance drug delivery system design.

技术软件

Schrödinger

Discovery studio

Autodock vina

Gamess

Avogadro

MOLARIS-XG

SMINA

Ligand Scout

Gromacs

QtGrace

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