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Updated: May 27, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

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在一维格子上随机抽取连接物排列的样本

Dibyajyoti Mohanta1, Albertas Dvirnas1, Tobias Ambjörnsson1

  • 1Lund University, Computational Science for Health and Environment, Centre for Environmental and Climate Science, Lund, SE-223 62 Lund, Sweden.

Physical review. E
|February 20, 2025
PubMed
概括

我们开发了一种新的计算方法来模拟分子如何与DNA结合. 这种方法有助于理解DNA条形码,并设计更好的光学DNA映射 (ODM) 实验.

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
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