Departments of Biophysics and Microbiology, UT Southwestern Medical Center, Dallas, TX, 75390, USA.
Eur Biophys J. 2023 Jul;52(4-5):293-302. doi: 10.1007/s00249-023-01637-0. Epub 2023 Mar 9.
The ability to simulate sedimentation velocity (SV) analytical ultracentrifugation (AUC) experiments has proved to be a valuable tool for research planning, hypothesis testing, and pedagogy. Several options for SV data simulation exist, but they often lack interactivity and require up-front calculations on the part of the user. This work introduces SViMULATE, a program designed to make AUC experimental simulation quick, straightforward, and interactive. SViMULATE takes user-provided parameters and outputs simulated AUC data in a format suitable for subsequent analyses, if desired. The user is not burdened by the necessity to calculate hydrodynamic parameters for simulated macromolecules, as the program can compute these properties on the fly. It also frees the user of decisions regarding simulation stop time. SViMULATE features a graphical view of the species that are under simulation, and there is no limit on their number. Additionally, the program emulates data from different experimental modalities and data-acquisition systems, including the realistic simulation of noise for the absorbance optical system. The executable is available for immediate download.
模拟沉降速度（SV）分析超速离心（AUC）实验的能力已被证明是研究规划、假设检验和教学的有价值工具。有几种 SV 数据模拟选项，但它们通常缺乏交互性，并且需要用户进行预先计算。这项工作引入了 SViMULATE，这是一个旨在使 AUC 实验模拟快速、直接和交互的程序。SViMULATE 采用用户提供的参数，并以适合后续分析的格式输出模拟 AUC 数据，如果需要的话。用户不必为模拟大分子计算流体力学参数而感到负担，因为程序可以实时计算这些特性。它还使用户不必决定模拟停止时间。SViMULATE 具有正在模拟的物种的图形视图，并且对其数量没有限制。此外，该程序模拟来自不同实验模式和数据采集系统的数据，包括对吸光度光学系统进行真实噪声模拟。可执行文件可立即下载。
