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Updated: Jun 1, 2025

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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热定位分子动力学:碎片的复仇

Matteo Pavan1, Silvia Menin1, Andrea Dodaro1

  • 1Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, Padova 35131, Italy.

Journal of chemical information and modeling
|January 21, 2025
PubMed
概括

基于碎片的药物发现使用热定位分子动力学 (TTMD) 来改善连接体结合的预测. 这种新方法精确地改进了碎片对接结果,有助于药物开发.

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