input.tar.xz
收藏Figshare2024-08-22 更新2026-04-08 收录
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https://figshare.com/articles/dataset/input_tar_xz/26809048/1
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资源简介：
The article examines two different methods for calculating binding energies for two kinase inhibitors bound to three different proteins. The methods are Density Functional Theory (DFT) and Free Energy Perturbation (FEP), which are then compared with experimental values.
提供机构：
Lindahl, Erik; Friedman, Ran
创建时间：
2024-08-22
