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Updated: Jun 8, 2026

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

马蒂尼亚克:可复制,可追溯和可组合的粗粒马蒂尼模拟的计算工作流程

Tristan Bereau1, Luis J Walter1, Joseph F Rudzinski2

  • 1Institute for Theoretical Physics, Heidelberg University, 69120 Heidelberg, Germany.

Journal of chemical information and modeling
|December 2, 2024
PubMed
概括

马蒂尼亚克计算工作流程通过使用马蒂尼力场来增强分子动力学 (MD) 模拟. 该系统通过将数据结构化为图形并连接到NOMAD数据库来提高模拟可追溯性和可重复性.

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Molecular Models02:00

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Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.