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Updated: May 9, 2026

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
08:09

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

Published on: April 19, 2021

gmx_RRCS:在分子模拟中检测微妙的形态动力学的精密工具

Wei Han1, Zhenghan Chen2, Ming-Wei Wang3

  • 1Research Center for Medicinal Structural Biology, National Research Center for Translational Medicine at Shanghai, State Key Laboratory of Medical Genomics, Ruijin Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China.

Journal of molecular biology
|April 6, 2025
PubMed
概括

一个名为gmx_RRCS的新工具精确地检测了分子动力学模拟中的微妙的生物分子构造变化. 它分析了残留物-残留物接触评分,以揭示药物设计和生物功能洞察力的关键相互作用.

关键词:
规范性变化 规范性变化分子模拟分子模拟其余的接触者与残留物接触.其余物与其余物接触得分 (residue-residue contact score) 是一个值.飞行轨迹的轨迹是可以的.

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