A large amount of complex data will be produced in virtual screening and the effective management of these data is the basis of next research in drug discovery.
虚拟筛选过程将产生大量复杂的中间数据,对这些数据的有效管理是下阶段新药研发的基础。
Therefore, these virtual screening results provide some useful information for the further research.
药物靶标的虚拟筛选结果为合成及活性研究提供了依据。
The derived QSAR models further validate the binding model of sulfonylurea compounds and AHAS, and provide a very useful tool in the next virtual screening.
得到的QSAR模型进一步验证了复合物中磺酰脲化合物与酶的连接模式,并为下一步的虚拟筛选提供了一个非常有用的工具。
Molecular docking is an important method in drug virtual screening, and it should be improved applying in the study of inter - action between immobilized ligand and protein.
分子对接技术是药物虚拟筛选的重要手段,将它应用到固定化配基与蛋白质相互作用的研究中需要改进。
In this new study, the researchers froze individual "frames" from the nano-movies, each showing the RNA in a different conformation, and subjected each of them to virtual screening.
在这项新研究中,研究者们从纳米影像中定格每一幅画面,而每一幅画面中RNA分子处于一种不同的构型中,并且研究者对每一个构型进行检查。
In this new study, the researchers froze individual "frames" from the nano-movies, each showing the RNA in a different conformation, and subjected each of them to virtual screening.
在这项新研究中,研究者们从纳米影像中定格每一幅画面,而每一幅画面中RNA分子处于一种不同的构型中,并且研究者对每一个构型进行检查。
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