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Updated: Jan 28, 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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HVLGAN:基于结构的药物发现的混合层次的缩放注意力启用潜伏模型

Shreyas Rajendra Hole1, Lakshmanan M2, Jeevaraj R3

  • 1Department of Computer Science and Engineering, Symbiosis Institute of Technology, Nagpur Campus, Symbiosis International (Deemed University), Pune, India.

Journal of biomolecular structure & dynamics
|January 27, 2026
PubMed
概括

一个新的混合层次缩放注意力支持的基于自编码器的潜在生成对抗网络 (HVLGAN) 加快了药物发现. 这种方法提高了分子生成效率,并减少了新型治疗化合物的计算复杂性.

关键词:
药物发现 药物发现深度学习是一种深度学习.分子生成分子的产生.基于结构的药物设计.变量自动编码器变量自动编码器

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