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- 详细信息
- 文献和实验
- 技术资料
- 保存条件:
polypeptide, sealed storage, away from moisture
- 库存:
货期:1-2天
- 供应商:
MedChemExpress LLC
- CAS号:
1092457-78-7
- 规格:
1 mg/5 mg/10 mg
| 规格: | 1 mg | 产品价格: | ¥1600.0 |
|---|---|---|---|
| 规格: | 5 mg | 产品价格: | ¥3800.0 |
| 规格: | 10 mg | 产品价格: | ¥6000.0 |
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MM 419447
CAS No. : 1092457-78-7
MCE 国际站:MM 419447
产品活性:MM 419447,一种利那洛肽代谢物,是一种鸟苷酸环化酶 C (guanylate cyclase-C) 激动剂。MM 419447 可被用作研究便秘型肠易激综合征 (IBS-C)。
研究领域:GPCR/G Protein
作用靶点:Guanylate Cyclase
In Vitro: MM 419447 exhibits high-affinity binding to T84 cells, resulting in a significant, concentration-dependent accumulation of intracellular cyclic guanosine-39,59-monophosphate (cGMP).
In Vivo: MM 419447 (10 mg/kg; p.o.) treatment shows the Cmax, AUC0-6 and t1/2 values of 27 ng/mL, ≤ 29.7 ng h/mL and 0.33 hours, respectively
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文献和实验Introduction to QM/MM Simulations
Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations have become a popular tool for investigating chemical reactions in condensed phases. In QM/MM methods, the region of the system in which the chemical process takes place
QM and QM/MM Simulations of Proteins
optimization and dynamic simulations of peptides and proteins. In this chapter, we introduce methodological developments such as the QM/MM framework and linear-scaling QM that make efficient calculations on large biomolecules possible. We identify
MM-GB/SA Rescoring of Docking Poses
binding modes, but struggle when predicting the corresponding binding affinities. The rescoring of docking poses using the MM-GB/SA technique has emerged as an important computational approach in structure-based lead optimization as it provides
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