对于RNA-小分子复合体的自由能量计算的基本考虑:来自神素结合RNA Aptamer的经验教训

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Probing RNA Structure with Dimethyl Sulfate Mutational Profiling with Sequencing In Vitro and in Cells
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Probing RNA Structure with Dimethyl Sulfate Mutational Profiling with Sequencing In Vitro and in Cells

Published on: December 9, 2022

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Ali Rasouli1,2,3, Frank C Pickard1, Sreyoshi Sur1

  • 1Moderna, Inc., 325 Binney Street, Cambridge, Massachusetts 02142, United States.

Journal of chemical information and modeling
|December 19, 2024
PubMed
概括

炼金术的自由能量计算可以预测RNA-连接体结合亲和力. 模拟离子和缓冲条件对于准确的预测至关重要,当离子放置不确定时,RNA骨干限制提供了一个可行的替代方案.

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