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Updated: May 23, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Published on: July 25, 2013

一个进化算法,用于 de novo优化功能过渡金属化合物

Yunhan Chu1, Wouter Heyndrickx, Giovanni Occhipinti

  • 1Department of Chemistry, Norwegian University of Science and Technology, N-7491, Trondheim, Norway.

Journal of the American Chemical Society
|April 25, 2012
PubMed
概括

本研究介绍了一种进化算法,用于设计用于催化的新型过渡金属复合体. 该方法成功生成了与现有催化剂可比的结构,为新催化剂开发铺平了道路.

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