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Updated: Apr 11, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

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ILVES:分子ダイナミクスの正確で効率的な結合長と角度の制約

Lorién López-Villellas1, Carl Christian Kjelgaard Mikkelsen2, Juan José Galano-Frutos3

  • 1Departamento de Informática e Ingeniería de Sistemas/Aragón Institute for Engineering Research (I3A), Universidad de Zaragoza, Zaragoza 50018, Spain.

Journal of chemical theory and computation
|September 4, 2025
PubMed
まとめ

ILVESという 新しいアルゴリズムを 開発しました モлекулярダイナミクスシミュレーションで 制約式を素早く解くものです これにより,より長いシミュレーションとより高い精度が可能になり,複雑な生物分子の研究がより容易になります.

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