Data and code for allosteric competition and inhibition in AMPA receptors

The data deposited here accompany the manuscript “Allosteric competition and inhibition in AMPA receptors.” Included are the timeseries data from umbrella sampling molecular dynamics simulations and the initial, equilibrated atomic coordinates used in the simulations. Also included are Charmm, Fortran, Gnuplot, and Python code used to generate and analyze the data. Detailed file contents are summarized in the README files.本处存放的数据配套于题为《AMPA受体（AMPA receptors）中的别构竞争与抑制》的手稿。包含伞形采样分子动力学模拟的时间序列数据，以及该模拟所用的初始平衡原子坐标。同时包含用于生成与分析该数据的Charmm、Fortran、Gnuplot及Python代码。详细的文件内容汇总于README文件中。