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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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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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抗癌エボダイアミン・スキャフォールドの多様化のために,オルトローグによる推論ベースの酵素採掘

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
まとめ

研究者は,アルカロイドと呼ばれる複雑な薬物分子を改変できる酵素を見つけるための新しい方法を開発しました. このアプローチでは,バイオインフォマティクスを使用して,多様で潜在的により効果的な医薬品を製造する新しい方法を発見します.

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