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Updated: Jun 19, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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一种用于快速分析聚合物结构和逆设计策略 (RAPSIDY) 的计算方法.

Vinson Liao1, Tristan Myers1, Arthi Jayaraman1,2,3

  • 1Department of Chemical and Biomolecular Engineering, University of Delaware, Colburn Lab, 150 Academy Street, Newark, DE 19716, USA. arthij@udel.edu.

Soft matter
|October 8, 2024
PubMed
概括

我们开发了RAPSIDY,这是一种用于快速聚合物反向设计的计算框架. 它加速了聚合物序列的发现,产生所需的材料结构和特性,大大降低了成本.

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Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...