Free Energy differences calculated by Umbrella Sampling and Metadynamics (in kcal/mol).
收藏NIAID Data Ecosystem2026-03-07 收录
下载链接：
https://figshare.com/articles/dataset/_Free_Energy_differences_calculated_by_Umbrella_Sampling_and_Metadynamics_in_kcal_mol_/668738
下载链接
链接失效反馈官方服务：
资源简介：
Free Energy differences were calculated by taking the differences of the Free Energy values at the corresponding minima in the free energy curve. Metadynamics results correspond to the “US Step 1” calculations.
自由能差值通过计算自由能曲线中对应极小值点处的自由能数值之差得到。元动力学（Metadynamics）的计算结果对应"US Step 1"的计算任务。
创建时间：
2013-03-25
