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Updated: Sep 19, 2025

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
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Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

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将AMBER 14SB力场添加到随机定位CpHMD方法中

João G N Sequeira1, Adrian E Roitberg2, Miguel Machuqueiro1

  • 1BioISI─Instituto de Biossistemas e Ciências Integrativas, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Lisboa 1749-016, Portugal.

Journal of chemical theory and computation
|June 16, 2025
PubMed
概括

恒定pH分子动力学 (CpHMD) 模拟现在支持AMBER 14SB力场,增强质子化景观研究. 这一进步使主要蛋白质力场的直接比较成为可能,以改进生物分子模拟.

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