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Updated: Mar 9, 2026

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
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PyCPET 计算异质3D蛋白电场及其动态

Pujan Ajmera1, Santiago Vargas2, Shobhit S Chaturvedi1

  • 1Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States.

Journal of chemical theory and computation
|April 8, 2025
PubMed
概括

我们介绍PyCPET,这是一个新的计算工具箱,用于分析酶活性部位的电场. 这种工具增强了我们对静电预组织和酶催化物的理解.

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