Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
Molecular Models
您也可能阅读
通过共同作者、期刊和引用图与本文相关的文章。
Kwanghee Park1, Seiji Ueno1,2, Yoshitaka Tanimura1
1Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
我们开发了sbml4md,这是一个新的软件工具,使用机器学习从分子动力学模拟中提取参数. 这使得分子液体的非线性振动光谱可以在没有经验性拟合的情况下精确模拟.
科学领域:
背景情况:
研究的目的:
主要方法:
主要成果:
结论:
05:00Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
Published on: August 9, 2024
09:17Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
Published on: March 1, 2022