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Updated: Jun 12, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

17.0K

对旋转和质子状态赋值 (RAPA) 的自我一致的方法:超越单个蛋白质配置

Mossa Ghattas1, Prerna Gera2, Steven Ramsey3

  • 1Ph.D. Program in Chemistry, The Graduate Center, City University of New York, New York, New York 10016, United States.

Journal of chemical information and modeling
|June 11, 2025
PubMed
概括

蛋白质晶体结构的模糊性来自于无法溶解的原子,导致多种可能的旋转和质子状态. 我们的旋转和质子分配 (RAPA) 协议识别了这些能量一致的状态,揭示了大多数蛋白质的多种配置.

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