# Ligand engineering method streamlines design for chemical reactions in catalysis and drug delivery

**URL:** <https://community.materialssquare.com/t/ligand-engineering-method-streamlines-design-for-chemical-reactions-in-catalysis-and-drug-delivery/902>\
**Category:** News\
**Created:** [November 15, 2024, 6:43pm UTC](https://community.materialssquare.com/t/ligand-engineering-method-streamlines-design-for-chemical-reactions-in-catalysis-and-drug-delivery/902 "2024-11-15T18:43:55Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![gabriele1](https://yyz1.discourse-cdn.com/flex003/user_avatar/community.materialssquare.com/gabriele1/32/20_2.png) [@gabriele1](https://community.materialssquare.com/u/gabriele1)\
**Post date:** [November 15, 2024, 6:43pm UTC](https://community.materialssquare.com/t/ligand-engineering-method-streamlines-design-for-chemical-reactions-in-catalysis-and-drug-delivery/902/1 "2024-11-15T18:43:56Z")

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This article introduces Virtual Ligand-Assisted Optimization (VLAO), a novel method developed by researchers at Hokkaido University to improve the design and functionality of ligands, which are critical in catalysis and drug delivery. Traditionally, optimizing ligands involved labor-intensive experiments that often struggled to capture complex relationships between ligand properties and reaction outcomes. VLAO streamlines this process using computer simulations to model and test ligands in virtual environments, enabling rapid optimization. The method has already proven effective, identifying highly efficient ligands for specific chemical reactions, surpassing those developed through traditional methods. By enhancing reaction selectivity and efficiency, VLAO holds significant potential for applications in transition metal catalysis, pharmaceuticals, and materials science, promising to revolutionize ligand engineering.

For more details, please continue reading the full article under the following link:

> **[Ligand engineering method streamlines design for chemical reactions in...](https://phys.org/news/2024-11-ligand-method-chemical-reactions-catalysis.html)**
>
> Researchers at Hokkaido University in Japan have developed a technique called Virtual Ligand-Assisted Optimization, or VLAO, to enhance the design and effectiveness of ligands, which are important molecules used in chemical reactions, especially in...

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In general, if you enjoy reading this kind of scientific news articles, I would also be keen to connect with fellow researchers based on common research interests, including the possibility to discuss about any potential interest in the Materials Square cloud-based platform ( [www.matsq.com](http://www.matsq.com) ), designed for streamlining the execution of materials and molecular atomistic simulations!

Best regards,

Dr. Gabriele Mogni  
Technical Consultant and EU Representative  
Virtual Lab Inc., the parent company of the Materials Square platform  
Website: [Home | Virtual Lab Inc.](http://www.virtuallab.co.kr/en/)  
Email: gabriele@simulation.re.kr

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