Supplementary Files for 'An Extended In silico Modeling Method' Integrating Homology, Threading and Dynamics to Devise Quality Protein Structures

The dataset contains python scripts pertaining to modeling using MODELLER along with simulation parameter files and commands for executing molecular dynamics simulation of protein in aqueous environment.

本数据集包含用于基于MODELLER开展分子建模的Python脚本，以及用于执行水环境中蛋白质分子动力学模拟的模拟参数文件与相关命令。