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Updated: Sep 11, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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抗药物设计的全面理论研究:DFT,TD-DFT和分子对接方法

Muhammad Nadeem Akhtar1, Saira Khan1, Farhan Siddique2

  • 1Department of Chemistry, Faculty of Science, Ghazi University, Dera Ghazi Khan 32200, Pakistan.

Central nervous system agents in medicinal chemistry
|August 13, 2025
PubMed
概括

计算研究显示EP5是有前途的抗药物候选药物. 它的优越电子和结构性质,包括低能量差距和强烈的药物蛋白相互作用,表明治疗的治疗潜力得到了增强.

关键词:
抗药物是一种抗药物.在 DFT 方面,它是最重要的.在TDM分析中,分析了TDM.乐队间隙 带间隙 乐队间隙停靠. 在停靠.它具有光动力学特性.

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