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Updated: Jun 17, 2026

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使用对接后分子动力学协议,高效地改进柔性质的复杂结构

Bayartsetseg Bayarsaikhan1, Balázs Zoltán Zsidó1, Rita Börzsei1

  • 1Pharmacoinformatics Unit, Department of Pharmacology and Pharmacotherapy, Medical School, University of Pécs, Szigeti út 12, H-7624 Pécs, Hungary.

International journal of molecular sciences
|June 19, 2024
PubMed
概括

计算分子对接与灵活的质酸进行斗争. 这项研究测试了六个分子动力学 (MD) 改进协议,发现其中一个显著提高了药物设计的复杂结构准确性.

关键词:
停靠的对接方式基因组 基因组 基因组分子动力学分子动力学这是一种类.精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼 refinement 精炼水水水的水水的水

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