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Updated: Jul 12, 2025

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可访问的分子系统创造者:基于不可访问的分子体积和可访问的分子表面通过静态蒙特卡洛采样构建分子配置

Georgios C Boulougouris1

  • 1Laboratory of Computational Physical Chemistry, Department of Molecular Biology and Genetics, University of Thrace, GR 681 00 Alexandroupoulis, Greece.

The journal of physical chemistry. B
|October 26, 2023
PubMed
概括

这项研究重新审视了用于分子模拟的静态蒙特卡洛 (MC) 采样. 我们克服了绘制分子可访问体积的关键障碍,使原子结构的有效静态构建成为可能.

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