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Updated: Aug 14, 2026

ExCYT: A Graphical User Interface for Streamlining Analysis of High-Dimensional Cytometry Data
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ExCYT: A Graphical User Interface for Streamlining Analysis of High-Dimensional Cytometry Data

Published on: January 16, 2019

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K-Means Clustering Coarse-Graining (KMC-CG):一种下一代的方法,用于确定大型生物分子的最佳粗粒度映射

Jiangbo Wu1, Weizhi Xue1, Gregory A Voth1

  • 1Department of Chemistry, Chicago Center for Theoretical Chemistry, The James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.

Journal of chemical theory and computation
|November 13, 2023
PubMed
概括

一种新的K-means聚类粗粒度 (KMC-CG) 方法通过创建更好的粗粒度 (CG) 模型来改进生物分子模拟. 这种方法提高了大生物分子分子动力学 (MD) 的准确性.

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The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For example, the mass of helium...
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2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.