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Updated: Feb 5, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

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单溶剂系统对α-CL-20预测的晶体形态的影响:分子动力学和修改的附着能量的研究

Zhijiang Yue1, Zhenfeng Jia1, Qingying Duan1

  • 1School of National Defense & Nuclear Science and Technology, Southwest University of Science and Technology, Mianyang, 621010, P. R. China.

Journal of molecular modeling
|February 3, 2026
PubMed
概括

阿尔法-CL-20的晶体生长受到溶剂相互作用的影响,其中键占主导地位. 这项研究揭示了特定的溶剂选择如何设计晶体形态,以改善CL-20制备.

关键词:
在 CL-20 中,我们可以看到 CL-20 .晶体的生长 晶体的生长水晶形态学预测预测经过修改的附件能量模型.分子动力学模拟模型

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Growing Protein Crystals with Distinct Dimensions Using Automated Crystallization Coupled with In Situ Dynamic Light Scattering09:15

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