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Updated: Jun 14, 2025

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CHARMM-GUI PDB 阅读器和操纵器:共价联接体建模和模拟

Lingyang Kong1, Sang-Jun Park1, Wonpil Im1

  • 1Departments of Biological Sciences, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, PA 18015, USA.

Journal of molecular biology
|September 5, 2024
PubMed
概括

现在,CHARMM-GUI模拟了共价药物,这些药物与蛋白质形成键,从而产生更强的效果. 这项新功能简化了药物发现研究人员的复杂分子模拟.

关键词:
全原子建模 全原子建模共价联体是共价联体.药物发现 药物发现 药物发现分子动力学模拟模型基于结构的虚拟选

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