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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.
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Related Experiment Video

Updated: Jul 7, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

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Published on: July 25, 2013

In silico aptamer design: from sequence selection to structural optimization and computational modelling strategies

Amrita Sinharay¹, Meetrayu Raut¹, Anup Kale²

¹Department of Biosciences and Technology, Dr. Vishwanath Karad MIT-World Peace University, Pune, Maharashtra, India.

Journal of Computer-Aided Molecular Design

|April 8, 2026

Summary

No abstract available in PubMed .

Keywords:

Computational design De novo aptamer design Generative AI based modeling Molecular dynamics simulation Virtual screening

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