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Updated: Feb 19, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

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基于 ортолог推断的酶挖掘,以使抗癌药物evodiamine支架的多样化

Brooke D Kwan1,2, Truc Kim1,2, Hoa Ht Nguyen1,2

  • 1Department of Chemistry, Irving K. Barber Faculty of Science, University of British Columbia, 3247 University Way, Kelowna, BC, Canada.

Communications chemistry
|February 17, 2026
PubMed
概括

研究人员开发了一种新方法,以找到可以修改称为类化合物的复杂药物分子的酶. 这种方法使用生物信息学来发现创造多样化和潜在更有效的药物化合物的新方法.

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