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Updated: Feb 17, 2026

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精确的基于物理的宏循环带的灵活对接.

Jacob Robson-Tull1, João P G L M Rodrigues1

  • 1Schrodinger New York, 1540 Broadway, 24th Floor, New York, New York 10035, United States.

Journal of medicinal chemistry
|February 16, 2026
PubMed
概括

一个新的计算建模协议提高了宏循环药物发现的准确性. 这种灵活的对接方法有效地预测了宏环化合物如何与标结合,改善了基于结构的治疗开发.

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